USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 387 TYR OH : rot 30:sc= -4.73! USER MOD Set 1.2: A 404 CYS SG : rot 107:sc= 0.728 USER MOD Single : A 369 ASN : amide:sc= -0.688 K(o=-0.69,f=-1.5) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN : amide:sc= -6.26! C(o=-6.3!,f=-2.8!) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot -25:sc= 0.284 USER MOD Single : A 380 TYR OH : rot -146:sc= 1.23 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -0.893 K(o=-0.89,f=-0.24) USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 400 SER OG : rot -110:sc= -1.01 USER MOD Single : A 410 THR OG1 : rot 35:sc= 0.0639 USER MOD Single : A 414 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 419 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.1) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.2) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 441 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -3.105 -1.899 9.575 1.00 0.78 N ATOM 103 CA ASN A 369 -1.967 -1.111 10.042 1.00 0.55 C ATOM 104 C ASN A 369 -1.146 -0.566 8.878 1.00 0.47 C ATOM 105 O ASN A 369 -0.846 0.627 8.821 1.00 0.57 O ATOM 106 CB ASN A 369 -1.077 -1.956 10.954 1.00 0.88 C ATOM 107 CG ASN A 369 -0.753 -3.310 10.354 1.00 1.29 C ATOM 108 OD1 ASN A 369 0.226 -3.460 9.622 1.00 2.02 O ATOM 109 ND2 ASN A 369 -1.578 -4.305 10.658 1.00 1.84 N ATOM 0 HA ASN A 369 -2.361 -0.264 10.603 1.00 0.55 H new ATOM 0 HB2 ASN A 369 -0.150 -1.418 11.152 1.00 0.88 H new ATOM 0 HB3 ASN A 369 -1.575 -2.097 11.914 1.00 0.88 H new ATOM 0 HD21 ASN A 369 -1.412 -5.238 10.281 1.00 1.84 H new ATOM 0 HD22 ASN A 369 -2.377 -4.136 11.269 1.00 1.84 H new ATOM 116 N ALA A 370 -0.783 -1.446 7.955 1.00 0.41 N ATOM 117 CA ALA A 370 0.009 -1.054 6.795 1.00 0.38 C ATOM 118 C ALA A 370 -0.686 0.043 5.995 1.00 0.36 C ATOM 119 O ALA A 370 -0.080 1.060 5.659 1.00 0.38 O ATOM 120 CB ALA A 370 0.289 -2.261 5.913 1.00 0.44 C ATOM 0 H ALA A 370 -1.024 -2.437 7.986 1.00 0.41 H new ATOM 0 HA ALA A 370 0.957 -0.655 7.155 1.00 0.38 H new ATOM 0 HB1 ALA A 370 0.881 -1.952 5.051 1.00 0.44 H new ATOM 0 HB2 ALA A 370 0.841 -3.008 6.483 1.00 0.44 H new ATOM 0 HB3 ALA A 370 -0.654 -2.688 5.571 1.00 0.44 H new ATOM 126 N LYS A 371 -1.961 -0.171 5.698 1.00 0.39 N ATOM 127 CA LYS A 371 -2.742 0.801 4.941 1.00 0.40 C ATOM 128 C LYS A 371 -2.943 2.074 5.752 1.00 0.39 C ATOM 129 O LYS A 371 -2.938 3.177 5.208 1.00 0.42 O ATOM 130 CB LYS A 371 -4.098 0.213 4.548 1.00 0.47 C ATOM 131 CG LYS A 371 -4.713 0.869 3.323 1.00 0.81 C ATOM 132 CD LYS A 371 -6.088 0.297 3.017 1.00 1.08 C ATOM 133 CE LYS A 371 -6.887 1.222 2.115 1.00 1.58 C ATOM 134 NZ LYS A 371 -8.353 1.084 2.339 1.00 2.05 N ATOM 0 H LYS A 371 -2.477 -1.008 5.969 1.00 0.39 H new ATOM 0 HA LYS A 371 -2.190 1.046 4.034 1.00 0.40 H new ATOM 0 HB2 LYS A 371 -3.981 -0.854 4.358 1.00 0.47 H new ATOM 0 HB3 LYS A 371 -4.786 0.314 5.388 1.00 0.47 H new ATOM 0 HG2 LYS A 371 -4.793 1.944 3.486 1.00 0.81 H new ATOM 0 HG3 LYS A 371 -4.058 0.724 2.464 1.00 0.81 H new ATOM 0 HD2 LYS A 371 -5.980 -0.676 2.538 1.00 1.08 H new ATOM 0 HD3 LYS A 371 -6.632 0.136 3.948 1.00 1.08 H new ATOM 0 HE2 LYS A 371 -6.587 2.254 2.296 1.00 1.58 H new ATOM 0 HE3 LYS A 371 -6.656 1.002 1.073 1.00 1.58 H new ATOM 0 HZ1 LYS A 371 -8.864 1.731 1.705 1.00 2.05 H new ATOM 0 HZ2 LYS A 371 -8.644 0.105 2.142 1.00 2.05 H new ATOM 0 HZ3 LYS A 371 -8.577 1.319 3.327 1.00 2.05 H new ATOM 148 N ARG A 372 -3.113 1.912 7.059 1.00 0.41 N ATOM 149 CA ARG A 372 -3.304 3.049 7.948 1.00 0.43 C ATOM 150 C ARG A 372 -2.014 3.848 8.060 1.00 0.39 C ATOM 151 O ARG A 372 -2.036 5.070 8.202 1.00 0.41 O ATOM 152 CB ARG A 372 -3.754 2.577 9.332 1.00 0.49 C ATOM 153 CG ARG A 372 -5.218 2.172 9.391 1.00 1.42 C ATOM 154 CD ARG A 372 -5.720 2.111 10.824 1.00 1.88 C ATOM 155 NE ARG A 372 -5.186 0.956 11.542 1.00 2.34 N ATOM 156 CZ ARG A 372 -5.318 0.773 12.854 1.00 2.93 C ATOM 157 NH1 ARG A 372 -5.964 1.665 13.594 1.00 3.13 N ATOM 158 NH2 ARG A 372 -4.802 -0.306 13.428 1.00 3.54 N ATOM 0 H ARG A 372 -3.122 1.005 7.525 1.00 0.41 H new ATOM 0 HA ARG A 372 -4.081 3.689 7.531 1.00 0.43 H new ATOM 0 HB2 ARG A 372 -3.139 1.730 9.635 1.00 0.49 H new ATOM 0 HB3 ARG A 372 -3.577 3.374 10.054 1.00 0.49 H new ATOM 0 HG2 ARG A 372 -5.817 2.885 8.824 1.00 1.42 H new ATOM 0 HG3 ARG A 372 -5.347 1.199 8.917 1.00 1.42 H new ATOM 0 HD2 ARG A 372 -5.437 3.025 11.346 1.00 1.88 H new ATOM 0 HD3 ARG A 372 -6.809 2.067 10.825 1.00 1.88 H new ATOM 0 HE ARG A 372 -4.683 0.249 11.007 1.00 2.34 H new ATOM 0 HH11 ARG A 372 -6.363 2.496 13.158 1.00 3.13 H new ATOM 0 HH12 ARG A 372 -6.062 1.519 14.599 1.00 3.13 H new ATOM 0 HH21 ARG A 372 -4.304 -0.995 12.864 1.00 3.54 H new ATOM 0 HH22 ARG A 372 -4.903 -0.447 14.433 1.00 3.54 H new ATOM 170 N GLN A 373 -0.891 3.145 7.980 1.00 0.38 N ATOM 171 CA GLN A 373 0.414 3.781 8.058 1.00 0.38 C ATOM 172 C GLN A 373 0.625 4.696 6.858 1.00 0.34 C ATOM 173 O GLN A 373 1.001 5.858 7.006 1.00 0.34 O ATOM 174 CB GLN A 373 1.519 2.722 8.111 1.00 0.43 C ATOM 175 CG GLN A 373 2.142 2.563 9.488 1.00 0.74 C ATOM 176 CD GLN A 373 3.590 3.009 9.529 1.00 0.92 C ATOM 177 OE1 GLN A 373 4.432 2.368 10.158 1.00 1.73 O ATOM 178 NE2 GLN A 373 3.888 4.115 8.857 1.00 1.25 N ATOM 0 H GLN A 373 -0.860 2.132 7.861 1.00 0.38 H new ATOM 0 HA GLN A 373 0.456 4.378 8.969 1.00 0.38 H new ATOM 0 HB2 GLN A 373 1.108 1.763 7.794 1.00 0.43 H new ATOM 0 HB3 GLN A 373 2.299 2.986 7.397 1.00 0.43 H new ATOM 0 HG2 GLN A 373 1.567 3.141 10.211 1.00 0.74 H new ATOM 0 HG3 GLN A 373 2.079 1.518 9.793 1.00 0.74 H new ATOM 0 HE21 GLN A 373 3.159 4.615 8.349 1.00 1.25 H new ATOM 0 HE22 GLN A 373 4.846 4.464 8.849 1.00 1.25 H new ATOM 187 N LEU A 374 0.372 4.161 5.668 1.00 0.34 N ATOM 188 CA LEU A 374 0.528 4.922 4.436 1.00 0.33 C ATOM 189 C LEU A 374 -0.421 6.113 4.405 1.00 0.30 C ATOM 190 O LEU A 374 -0.031 7.225 4.054 1.00 0.33 O ATOM 191 CB LEU A 374 0.281 4.022 3.225 1.00 0.39 C ATOM 192 CG LEU A 374 1.410 3.997 2.193 1.00 0.56 C ATOM 193 CD1 LEU A 374 2.734 3.654 2.859 1.00 1.34 C ATOM 194 CD2 LEU A 374 1.095 3.005 1.082 1.00 1.23 C ATOM 0 H LEU A 374 0.057 3.200 5.532 1.00 0.34 H new ATOM 0 HA LEU A 374 1.550 5.299 4.398 1.00 0.33 H new ATOM 0 HB2 LEU A 374 0.109 3.005 3.577 1.00 0.39 H new ATOM 0 HB3 LEU A 374 -0.635 4.347 2.731 1.00 0.39 H new ATOM 0 HG LEU A 374 1.496 4.990 1.752 1.00 0.56 H new ATOM 0 HD11 LEU A 374 3.526 3.641 2.110 1.00 1.34 H new ATOM 0 HD12 LEU A 374 2.965 4.402 3.617 1.00 1.34 H new ATOM 0 HD13 LEU A 374 2.662 2.673 3.328 1.00 1.34 H new ATOM 0 HD21 LEU A 374 1.909 3.000 0.357 1.00 1.23 H new ATOM 0 HD22 LEU A 374 0.981 2.007 1.506 1.00 1.23 H new ATOM 0 HD23 LEU A 374 0.169 3.296 0.586 1.00 1.23 H new ATOM 206 N TYR A 375 -1.672 5.872 4.775 1.00 0.31 N ATOM 207 CA TYR A 375 -2.678 6.928 4.784 1.00 0.32 C ATOM 208 C TYR A 375 -2.427 7.915 5.918 1.00 0.33 C ATOM 209 O TYR A 375 -2.854 9.067 5.856 1.00 0.38 O ATOM 210 CB TYR A 375 -4.079 6.329 4.913 1.00 0.37 C ATOM 211 CG TYR A 375 -5.115 7.023 4.058 1.00 0.42 C ATOM 212 CD1 TYR A 375 -4.941 7.146 2.686 1.00 1.26 C ATOM 213 CD2 TYR A 375 -6.269 7.553 4.623 1.00 1.29 C ATOM 214 CE1 TYR A 375 -5.885 7.779 1.901 1.00 1.30 C ATOM 215 CE2 TYR A 375 -7.218 8.188 3.845 1.00 1.32 C ATOM 216 CZ TYR A 375 -7.021 8.299 2.485 1.00 0.60 C ATOM 217 OH TYR A 375 -7.964 8.930 1.706 1.00 0.72 O ATOM 0 H TYR A 375 -2.014 4.958 5.072 1.00 0.31 H new ATOM 0 HA TYR A 375 -2.607 7.466 3.839 1.00 0.32 H new ATOM 0 HB2 TYR A 375 -4.041 5.275 4.639 1.00 0.37 H new ATOM 0 HB3 TYR A 375 -4.391 6.376 5.956 1.00 0.37 H new ATOM 0 HD1 TYR A 375 -4.053 6.740 2.225 1.00 1.26 H new ATOM 0 HD2 TYR A 375 -6.427 7.467 5.688 1.00 1.29 H new ATOM 0 HE1 TYR A 375 -5.734 7.866 0.835 1.00 1.30 H new ATOM 0 HE2 TYR A 375 -8.109 8.595 4.300 1.00 1.32 H new ATOM 0 HH TYR A 375 -8.703 9.238 2.272 1.00 0.72 H new ATOM 227 N SER A 376 -1.732 7.459 6.953 1.00 0.33 N ATOM 228 CA SER A 376 -1.427 8.307 8.097 1.00 0.37 C ATOM 229 C SER A 376 -0.066 8.983 7.941 1.00 0.36 C ATOM 230 O SER A 376 0.314 9.820 8.759 1.00 0.45 O ATOM 231 CB SER A 376 -1.452 7.484 9.387 1.00 0.44 C ATOM 232 OG SER A 376 -1.360 8.320 10.527 1.00 1.26 O ATOM 0 H SER A 376 -1.370 6.508 7.023 1.00 0.33 H new ATOM 0 HA SER A 376 -2.190 9.084 8.148 1.00 0.37 H new ATOM 0 HB2 SER A 376 -2.372 6.902 9.433 1.00 0.44 H new ATOM 0 HB3 SER A 376 -0.625 6.774 9.385 1.00 0.44 H new ATOM 0 HG SER A 376 -0.918 9.159 10.282 1.00 1.26 H new ATOM 238 N LEU A 377 0.674 8.615 6.893 1.00 0.31 N ATOM 239 CA LEU A 377 1.990 9.193 6.659 1.00 0.34 C ATOM 240 C LEU A 377 2.073 9.902 5.307 1.00 0.30 C ATOM 241 O LEU A 377 2.901 10.795 5.128 1.00 0.36 O ATOM 242 CB LEU A 377 3.071 8.113 6.743 1.00 0.41 C ATOM 243 CG LEU A 377 3.751 7.985 8.107 1.00 0.62 C ATOM 244 CD1 LEU A 377 2.719 7.731 9.195 1.00 0.95 C ATOM 245 CD2 LEU A 377 4.789 6.874 8.083 1.00 0.86 C ATOM 0 H LEU A 377 0.384 7.925 6.200 1.00 0.31 H new ATOM 0 HA LEU A 377 2.157 9.937 7.438 1.00 0.34 H new ATOM 0 HB2 LEU A 377 2.625 7.153 6.484 1.00 0.41 H new ATOM 0 HB3 LEU A 377 3.833 8.323 5.992 1.00 0.41 H new ATOM 0 HG LEU A 377 4.259 8.924 8.329 1.00 0.62 H new ATOM 0 HD11 LEU A 377 3.221 7.643 10.159 1.00 0.95 H new ATOM 0 HD12 LEU A 377 2.013 8.561 9.228 1.00 0.95 H new ATOM 0 HD13 LEU A 377 2.183 6.807 8.979 1.00 0.95 H new ATOM 0 HD21 LEU A 377 5.263 6.797 9.062 1.00 0.86 H new ATOM 0 HD22 LEU A 377 4.304 5.929 7.839 1.00 0.86 H new ATOM 0 HD23 LEU A 377 5.545 7.099 7.331 1.00 0.86 H new ATOM 257 N ILE A 378 1.233 9.506 4.352 1.00 0.25 N ATOM 258 CA ILE A 378 1.266 10.131 3.034 1.00 0.25 C ATOM 259 C ILE A 378 -0.133 10.416 2.487 1.00 0.26 C ATOM 260 O ILE A 378 -0.339 11.408 1.789 1.00 0.33 O ATOM 261 CB ILE A 378 2.057 9.272 2.023 1.00 0.28 C ATOM 262 CG1 ILE A 378 1.339 7.951 1.739 1.00 0.30 C ATOM 263 CG2 ILE A 378 3.460 9.006 2.547 1.00 0.30 C ATOM 264 CD1 ILE A 378 1.801 7.280 0.465 1.00 0.33 C ATOM 0 H ILE A 378 0.535 8.770 4.463 1.00 0.25 H new ATOM 0 HA ILE A 378 1.775 11.086 3.164 1.00 0.25 H new ATOM 0 HB ILE A 378 2.125 9.827 1.087 1.00 0.28 H new ATOM 0 HG12 ILE A 378 1.497 7.272 2.577 1.00 0.30 H new ATOM 0 HG13 ILE A 378 0.266 8.135 1.676 1.00 0.30 H new ATOM 0 HG21 ILE A 378 4.009 8.400 1.826 1.00 0.30 H new ATOM 0 HG22 ILE A 378 3.979 9.953 2.694 1.00 0.30 H new ATOM 0 HG23 ILE A 378 3.399 8.474 3.497 1.00 0.30 H new ATOM 0 HD11 ILE A 378 1.252 6.349 0.324 1.00 0.33 H new ATOM 0 HD12 ILE A 378 1.617 7.941 -0.382 1.00 0.33 H new ATOM 0 HD13 ILE A 378 2.867 7.065 0.533 1.00 0.33 H new ATOM 276 N GLY A 379 -1.091 9.549 2.801 1.00 0.25 N ATOM 277 CA GLY A 379 -2.447 9.747 2.321 1.00 0.29 C ATOM 278 C GLY A 379 -3.115 10.953 2.952 1.00 0.31 C ATOM 279 O GLY A 379 -3.657 10.864 4.055 1.00 0.37 O ATOM 0 H GLY A 379 -0.954 8.718 3.376 1.00 0.25 H new ATOM 0 HA2 GLY A 379 -2.432 9.869 1.238 1.00 0.29 H new ATOM 0 HA3 GLY A 379 -3.038 8.856 2.533 1.00 0.29 H new ATOM 283 N TYR A 380 -3.080 12.085 2.254 1.00 0.31 N ATOM 284 CA TYR A 380 -3.692 13.310 2.759 1.00 0.37 C ATOM 285 C TYR A 380 -5.060 13.545 2.125 1.00 0.44 C ATOM 286 O TYR A 380 -5.999 13.972 2.797 1.00 0.99 O ATOM 287 CB TYR A 380 -2.785 14.525 2.516 1.00 0.40 C ATOM 288 CG TYR A 380 -1.899 14.413 1.293 1.00 0.40 C ATOM 289 CD1 TYR A 380 -2.433 14.481 0.012 1.00 1.29 C ATOM 290 CD2 TYR A 380 -0.526 14.243 1.422 1.00 1.24 C ATOM 291 CE1 TYR A 380 -1.623 14.384 -1.105 1.00 1.34 C ATOM 292 CE2 TYR A 380 0.290 14.144 0.311 1.00 1.29 C ATOM 293 CZ TYR A 380 -0.263 14.215 -0.949 1.00 0.63 C ATOM 294 OH TYR A 380 0.546 14.117 -2.058 1.00 0.79 O ATOM 0 H TYR A 380 -2.636 12.179 1.341 1.00 0.31 H new ATOM 0 HA TYR A 380 -3.825 13.186 3.834 1.00 0.37 H new ATOM 0 HB2 TYR A 380 -3.408 15.414 2.417 1.00 0.40 H new ATOM 0 HB3 TYR A 380 -2.155 14.673 3.393 1.00 0.40 H new ATOM 0 HD1 TYR A 380 -3.498 14.612 -0.114 1.00 1.29 H new ATOM 0 HD2 TYR A 380 -0.089 14.187 2.408 1.00 1.24 H new ATOM 0 HE1 TYR A 380 -2.053 14.440 -2.094 1.00 1.34 H new ATOM 0 HE2 TYR A 380 1.355 14.012 0.430 1.00 1.29 H new ATOM 0 HH TYR A 380 1.287 13.504 -1.869 1.00 0.79 H new ATOM 304 N ALA A 381 -5.167 13.265 0.829 1.00 0.62 N ATOM 305 CA ALA A 381 -6.424 13.448 0.108 1.00 0.65 C ATOM 306 C ALA A 381 -6.249 13.167 -1.380 1.00 0.60 C ATOM 307 O ALA A 381 -6.766 12.179 -1.902 1.00 0.70 O ATOM 308 CB ALA A 381 -6.961 14.857 0.318 1.00 0.77 C ATOM 0 H ALA A 381 -4.400 12.911 0.257 1.00 0.62 H new ATOM 0 HA ALA A 381 -7.145 12.735 0.507 1.00 0.65 H new ATOM 0 HB1 ALA A 381 -7.898 14.974 -0.227 1.00 0.77 H new ATOM 0 HB2 ALA A 381 -7.136 15.025 1.381 1.00 0.77 H new ATOM 0 HB3 ALA A 381 -6.234 15.582 -0.049 1.00 0.77 H new ATOM 314 N SER A 382 -5.515 14.044 -2.061 1.00 0.59 N ATOM 315 CA SER A 382 -5.270 13.892 -3.492 1.00 0.65 C ATOM 316 C SER A 382 -4.711 12.508 -3.805 1.00 0.60 C ATOM 317 O SER A 382 -4.933 11.969 -4.890 1.00 0.70 O ATOM 318 CB SER A 382 -4.301 14.970 -3.981 1.00 0.79 C ATOM 319 OG SER A 382 -4.998 16.123 -4.418 1.00 1.39 O ATOM 0 H SER A 382 -5.080 14.867 -1.644 1.00 0.59 H new ATOM 0 HA SER A 382 -6.221 14.005 -4.012 1.00 0.65 H new ATOM 0 HB2 SER A 382 -3.616 15.239 -3.177 1.00 0.79 H new ATOM 0 HB3 SER A 382 -3.696 14.576 -4.798 1.00 0.79 H new ATOM 0 HG SER A 382 -4.356 16.797 -4.724 1.00 1.39 H new ATOM 325 N LEU A 383 -3.986 11.938 -2.848 1.00 0.50 N ATOM 326 CA LEU A 383 -3.397 10.617 -3.020 1.00 0.47 C ATOM 327 C LEU A 383 -4.355 9.531 -2.544 1.00 0.44 C ATOM 328 O LEU A 383 -4.204 8.994 -1.446 1.00 0.46 O ATOM 329 CB LEU A 383 -2.077 10.520 -2.253 1.00 0.51 C ATOM 330 CG LEU A 383 -1.073 9.515 -2.819 1.00 0.75 C ATOM 331 CD1 LEU A 383 -0.227 10.160 -3.905 1.00 1.46 C ATOM 332 CD2 LEU A 383 -0.190 8.964 -1.708 1.00 1.46 C ATOM 0 H LEU A 383 -3.793 12.371 -1.945 1.00 0.50 H new ATOM 0 HA LEU A 383 -3.203 10.468 -4.082 1.00 0.47 H new ATOM 0 HB2 LEU A 383 -1.611 11.505 -2.235 1.00 0.51 H new ATOM 0 HB3 LEU A 383 -2.294 10.251 -1.219 1.00 0.51 H new ATOM 0 HG LEU A 383 -1.625 8.687 -3.263 1.00 0.75 H new ATOM 0 HD11 LEU A 383 0.482 9.430 -4.296 1.00 1.46 H new ATOM 0 HD12 LEU A 383 -0.873 10.507 -4.712 1.00 1.46 H new ATOM 0 HD13 LEU A 383 0.318 11.007 -3.487 1.00 1.46 H new ATOM 0 HD21 LEU A 383 0.519 8.250 -2.127 1.00 1.46 H new ATOM 0 HD22 LEU A 383 0.354 9.782 -1.236 1.00 1.46 H new ATOM 0 HD23 LEU A 383 -0.811 8.465 -0.964 1.00 1.46 H new ATOM 344 N ARG A 384 -5.342 9.213 -3.376 1.00 0.45 N ATOM 345 CA ARG A 384 -6.325 8.191 -3.038 1.00 0.48 C ATOM 346 C ARG A 384 -5.662 6.824 -2.904 1.00 0.43 C ATOM 347 O ARG A 384 -5.701 6.010 -3.827 1.00 0.48 O ATOM 348 CB ARG A 384 -7.425 8.139 -4.102 1.00 0.59 C ATOM 349 CG ARG A 384 -8.695 8.870 -3.698 1.00 0.99 C ATOM 350 CD ARG A 384 -9.498 9.306 -4.913 1.00 1.43 C ATOM 351 NE ARG A 384 -10.935 9.118 -4.718 1.00 1.98 N ATOM 352 CZ ARG A 384 -11.523 7.926 -4.643 1.00 2.65 C ATOM 353 NH1 ARG A 384 -10.803 6.815 -4.747 1.00 3.04 N ATOM 354 NH2 ARG A 384 -12.834 7.843 -4.464 1.00 3.50 N ATOM 0 H ARG A 384 -5.482 9.648 -4.288 1.00 0.45 H new ATOM 0 HA ARG A 384 -6.772 8.453 -2.079 1.00 0.48 H new ATOM 0 HB2 ARG A 384 -7.045 8.572 -5.027 1.00 0.59 H new ATOM 0 HB3 ARG A 384 -7.666 7.097 -4.313 1.00 0.59 H new ATOM 0 HG2 ARG A 384 -9.306 8.221 -3.071 1.00 0.99 H new ATOM 0 HG3 ARG A 384 -8.438 9.743 -3.098 1.00 0.99 H new ATOM 0 HD2 ARG A 384 -9.295 10.356 -5.123 1.00 1.43 H new ATOM 0 HD3 ARG A 384 -9.173 8.738 -5.785 1.00 1.43 H new ATOM 0 HE ARG A 384 -11.521 9.949 -4.635 1.00 1.98 H new ATOM 0 HH11 ARG A 384 -9.794 6.872 -4.885 1.00 3.04 H new ATOM 0 HH12 ARG A 384 -11.259 5.904 -4.689 1.00 3.04 H new ATOM 0 HH21 ARG A 384 -13.393 8.693 -4.384 1.00 3.50 H new ATOM 0 HH22 ARG A 384 -13.284 6.929 -4.407 1.00 3.50 H new ATOM 366 N LEU A 385 -5.054 6.580 -1.747 1.00 0.35 N ATOM 367 CA LEU A 385 -4.379 5.312 -1.486 1.00 0.31 C ATOM 368 C LEU A 385 -5.320 4.133 -1.730 1.00 0.33 C ATOM 369 O LEU A 385 -6.270 3.919 -0.978 1.00 0.36 O ATOM 370 CB LEU A 385 -3.856 5.279 -0.046 1.00 0.31 C ATOM 371 CG LEU A 385 -3.249 3.942 0.393 1.00 0.36 C ATOM 372 CD1 LEU A 385 -1.740 4.061 0.534 1.00 0.66 C ATOM 373 CD2 LEU A 385 -3.874 3.475 1.699 1.00 0.66 C ATOM 0 H LEU A 385 -5.015 7.244 -0.974 1.00 0.35 H new ATOM 0 HA LEU A 385 -3.537 5.226 -2.173 1.00 0.31 H new ATOM 0 HB2 LEU A 385 -3.102 6.058 0.069 1.00 0.31 H new ATOM 0 HB3 LEU A 385 -4.676 5.527 0.628 1.00 0.31 H new ATOM 0 HG LEU A 385 -3.463 3.199 -0.375 1.00 0.36 H new ATOM 0 HD11 LEU A 385 -1.327 3.102 0.846 1.00 0.66 H new ATOM 0 HD12 LEU A 385 -1.307 4.348 -0.424 1.00 0.66 H new ATOM 0 HD13 LEU A 385 -1.503 4.819 1.281 1.00 0.66 H new ATOM 0 HD21 LEU A 385 -3.431 2.524 1.995 1.00 0.66 H new ATOM 0 HD22 LEU A 385 -3.692 4.218 2.476 1.00 0.66 H new ATOM 0 HD23 LEU A 385 -4.948 3.348 1.563 1.00 0.66 H new ATOM 385 N HIS A 386 -5.047 3.373 -2.786 1.00 0.33 N ATOM 386 CA HIS A 386 -5.867 2.218 -3.129 1.00 0.35 C ATOM 387 C HIS A 386 -4.995 1.036 -3.537 1.00 0.34 C ATOM 388 O HIS A 386 -3.878 1.214 -4.022 1.00 0.38 O ATOM 389 CB HIS A 386 -6.833 2.571 -4.262 1.00 0.40 C ATOM 390 CG HIS A 386 -7.870 1.521 -4.512 1.00 1.13 C ATOM 391 ND1 HIS A 386 -9.167 1.619 -4.054 1.00 2.08 N ATOM 392 CD2 HIS A 386 -7.798 0.345 -5.182 1.00 1.93 C ATOM 393 CE1 HIS A 386 -9.846 0.549 -4.427 1.00 2.78 C ATOM 394 NE2 HIS A 386 -9.039 -0.238 -5.114 1.00 2.65 N ATOM 0 H HIS A 386 -4.264 3.537 -3.419 1.00 0.33 H new ATOM 0 HA HIS A 386 -6.442 1.935 -2.247 1.00 0.35 H new ATOM 0 HB2 HIS A 386 -7.330 3.512 -4.025 1.00 0.40 H new ATOM 0 HB3 HIS A 386 -6.263 2.733 -5.177 1.00 0.40 H new ATOM 0 HD2 HIS A 386 -6.927 -0.058 -5.677 1.00 1.93 H new ATOM 0 HE1 HIS A 386 -10.885 0.352 -4.207 1.00 2.78 H new ATOM 0 HE2 HIS A 386 -9.296 -1.134 -5.527 1.00 2.65 H new ATOM 403 N TYR A 387 -5.510 -0.173 -3.335 1.00 0.37 N ATOM 404 CA TYR A 387 -4.777 -1.382 -3.679 1.00 0.37 C ATOM 405 C TYR A 387 -5.520 -2.202 -4.726 1.00 0.41 C ATOM 406 O TYR A 387 -6.706 -2.496 -4.574 1.00 0.46 O ATOM 407 CB TYR A 387 -4.532 -2.226 -2.428 1.00 0.39 C ATOM 408 CG TYR A 387 -3.423 -1.685 -1.558 1.00 0.35 C ATOM 409 CD1 TYR A 387 -3.530 -0.431 -0.970 1.00 1.25 C ATOM 410 CD2 TYR A 387 -2.267 -2.421 -1.332 1.00 1.21 C ATOM 411 CE1 TYR A 387 -2.515 0.076 -0.184 1.00 1.25 C ATOM 412 CE2 TYR A 387 -1.249 -1.922 -0.544 1.00 1.21 C ATOM 413 CZ TYR A 387 -1.377 -0.673 0.027 1.00 0.33 C ATOM 414 OH TYR A 387 -0.365 -0.170 0.808 1.00 0.35 O ATOM 0 H TYR A 387 -6.433 -0.339 -2.934 1.00 0.37 H new ATOM 0 HA TYR A 387 -3.818 -1.083 -4.103 1.00 0.37 H new ATOM 0 HB2 TYR A 387 -5.452 -2.277 -1.845 1.00 0.39 H new ATOM 0 HB3 TYR A 387 -4.287 -3.245 -2.727 1.00 0.39 H new ATOM 0 HD1 TYR A 387 -4.422 0.157 -1.130 1.00 1.25 H new ATOM 0 HD2 TYR A 387 -2.163 -3.398 -1.779 1.00 1.21 H new ATOM 0 HE1 TYR A 387 -2.612 1.054 0.263 1.00 1.25 H new ATOM 0 HE2 TYR A 387 -0.357 -2.507 -0.376 1.00 1.21 H new ATOM 0 HH TYR A 387 -0.742 0.429 1.486 1.00 0.35 H new ATOM 424 N VAL A 388 -4.812 -2.565 -5.790 1.00 0.41 N ATOM 425 CA VAL A 388 -5.394 -3.348 -6.868 1.00 0.46 C ATOM 426 C VAL A 388 -4.683 -4.690 -7.013 1.00 0.46 C ATOM 427 O VAL A 388 -3.531 -4.750 -7.443 1.00 0.48 O ATOM 428 CB VAL A 388 -5.319 -2.587 -8.205 1.00 0.54 C ATOM 429 CG1 VAL A 388 -5.962 -3.391 -9.327 1.00 0.58 C ATOM 430 CG2 VAL A 388 -5.976 -1.220 -8.075 1.00 0.66 C ATOM 0 H VAL A 388 -3.830 -2.327 -5.927 1.00 0.41 H new ATOM 0 HA VAL A 388 -6.440 -3.523 -6.615 1.00 0.46 H new ATOM 0 HB VAL A 388 -4.268 -2.443 -8.457 1.00 0.54 H new ATOM 0 HG11 VAL A 388 -5.896 -2.831 -10.260 1.00 0.58 H new ATOM 0 HG12 VAL A 388 -5.442 -4.343 -9.437 1.00 0.58 H new ATOM 0 HG13 VAL A 388 -7.009 -3.575 -9.088 1.00 0.58 H new ATOM 0 HG21 VAL A 388 -5.915 -0.695 -9.028 1.00 0.66 H new ATOM 0 HG22 VAL A 388 -7.022 -1.344 -7.796 1.00 0.66 H new ATOM 0 HG23 VAL A 388 -5.462 -0.641 -7.308 1.00 0.66 H new ATOM 440 N THR A 389 -5.378 -5.765 -6.654 1.00 0.58 N ATOM 441 CA THR A 389 -4.813 -7.106 -6.748 1.00 0.68 C ATOM 442 C THR A 389 -4.963 -7.656 -8.164 1.00 0.83 C ATOM 443 O THR A 389 -6.021 -7.533 -8.778 1.00 1.04 O ATOM 444 CB THR A 389 -5.495 -8.044 -5.749 1.00 0.85 C ATOM 445 OG1 THR A 389 -6.767 -8.442 -6.225 1.00 1.52 O ATOM 446 CG2 THR A 389 -5.688 -7.426 -4.381 1.00 1.06 C ATOM 0 H THR A 389 -6.332 -5.733 -6.296 1.00 0.58 H new ATOM 0 HA THR A 389 -3.751 -7.045 -6.508 1.00 0.68 H new ATOM 0 HB THR A 389 -4.825 -8.898 -5.651 1.00 0.85 H new ATOM 0 HG1 THR A 389 -7.187 -9.042 -5.574 1.00 1.52 H new ATOM 0 HG21 THR A 389 -6.177 -8.144 -3.723 1.00 1.06 H new ATOM 0 HG22 THR A 389 -4.718 -7.154 -3.965 1.00 1.06 H new ATOM 0 HG23 THR A 389 -6.309 -6.534 -4.469 1.00 1.06 H new ATOM 594 N ASN A 399 1.130 -16.679 -6.578 1.00 0.70 N ATOM 595 CA ASN A 399 0.836 -16.099 -5.268 1.00 0.73 C ATOM 596 C ASN A 399 -0.119 -14.914 -5.380 1.00 0.66 C ATOM 597 O ASN A 399 -0.720 -14.681 -6.428 1.00 0.80 O ATOM 598 CB ASN A 399 2.130 -15.650 -4.579 1.00 1.13 C ATOM 599 CG ASN A 399 3.227 -16.693 -4.652 1.00 1.35 C ATOM 600 OD1 ASN A 399 3.285 -17.608 -3.831 1.00 2.01 O ATOM 601 ND2 ASN A 399 4.105 -16.561 -5.640 1.00 1.71 N ATOM 0 HA ASN A 399 0.354 -16.873 -4.670 1.00 0.73 H new ATOM 0 HB2 ASN A 399 2.481 -14.727 -5.041 1.00 1.13 H new ATOM 0 HB3 ASN A 399 1.920 -15.423 -3.534 1.00 1.13 H new ATOM 0 HD21 ASN A 399 4.865 -17.234 -5.740 1.00 1.71 H new ATOM 0 HD22 ASN A 399 4.019 -15.787 -6.299 1.00 1.71 H new ATOM 608 N SER A 400 -0.246 -14.165 -4.286 1.00 0.55 N ATOM 609 CA SER A 400 -1.116 -13.000 -4.247 1.00 0.54 C ATOM 610 C SER A 400 -0.305 -11.723 -4.429 1.00 0.50 C ATOM 611 O SER A 400 0.345 -11.252 -3.497 1.00 0.51 O ATOM 612 CB SER A 400 -1.878 -12.951 -2.922 1.00 0.62 C ATOM 613 OG SER A 400 -2.963 -13.862 -2.924 1.00 1.22 O ATOM 0 H SER A 400 0.247 -14.349 -3.412 1.00 0.55 H new ATOM 0 HA SER A 400 -1.833 -13.079 -5.064 1.00 0.54 H new ATOM 0 HB2 SER A 400 -1.202 -13.188 -2.101 1.00 0.62 H new ATOM 0 HB3 SER A 400 -2.248 -11.940 -2.749 1.00 0.62 H new ATOM 0 HG SER A 400 -3.807 -13.365 -2.950 1.00 1.22 H new ATOM 619 N ILE A 401 -0.337 -11.171 -5.637 1.00 0.49 N ATOM 620 CA ILE A 401 0.402 -9.958 -5.937 1.00 0.48 C ATOM 621 C ILE A 401 -0.523 -8.743 -5.965 1.00 0.46 C ATOM 622 O ILE A 401 -1.533 -8.734 -6.667 1.00 0.47 O ATOM 623 CB ILE A 401 1.161 -10.089 -7.281 1.00 0.49 C ATOM 624 CG1 ILE A 401 2.532 -9.422 -7.181 1.00 0.53 C ATOM 625 CG2 ILE A 401 0.361 -9.501 -8.438 1.00 0.61 C ATOM 626 CD1 ILE A 401 2.467 -7.960 -6.796 1.00 0.66 C ATOM 0 H ILE A 401 -0.868 -11.547 -6.422 1.00 0.49 H new ATOM 0 HA ILE A 401 1.133 -9.812 -5.142 1.00 0.48 H new ATOM 0 HB ILE A 401 1.298 -11.151 -7.485 1.00 0.49 H new ATOM 0 HG12 ILE A 401 3.134 -9.956 -6.446 1.00 0.53 H new ATOM 0 HG13 ILE A 401 3.043 -9.514 -8.140 1.00 0.53 H new ATOM 0 HG21 ILE A 401 0.926 -9.611 -9.364 1.00 0.61 H new ATOM 0 HG22 ILE A 401 -0.589 -10.027 -8.528 1.00 0.61 H new ATOM 0 HG23 ILE A 401 0.174 -8.444 -8.251 1.00 0.61 H new ATOM 0 HD11 ILE A 401 3.477 -7.552 -6.744 1.00 0.66 H new ATOM 0 HD12 ILE A 401 1.892 -7.412 -7.543 1.00 0.66 H new ATOM 0 HD13 ILE A 401 1.985 -7.861 -5.823 1.00 0.66 H new ATOM 638 N VAL A 402 -0.168 -7.720 -5.197 1.00 0.46 N ATOM 639 CA VAL A 402 -0.962 -6.502 -5.135 1.00 0.45 C ATOM 640 C VAL A 402 -0.102 -5.281 -5.439 1.00 0.45 C ATOM 641 O VAL A 402 1.106 -5.287 -5.204 1.00 0.49 O ATOM 642 CB VAL A 402 -1.625 -6.329 -3.755 1.00 0.46 C ATOM 643 CG1 VAL A 402 -2.518 -5.098 -3.736 1.00 0.46 C ATOM 644 CG2 VAL A 402 -2.415 -7.576 -3.386 1.00 0.52 C ATOM 0 H VAL A 402 0.665 -7.711 -4.609 1.00 0.46 H new ATOM 0 HA VAL A 402 -1.745 -6.590 -5.888 1.00 0.45 H new ATOM 0 HB VAL A 402 -0.841 -6.187 -3.012 1.00 0.46 H new ATOM 0 HG11 VAL A 402 -2.976 -4.996 -2.752 1.00 0.46 H new ATOM 0 HG12 VAL A 402 -1.921 -4.212 -3.952 1.00 0.46 H new ATOM 0 HG13 VAL A 402 -3.298 -5.203 -4.490 1.00 0.46 H new ATOM 0 HG21 VAL A 402 -2.877 -7.438 -2.409 1.00 0.52 H new ATOM 0 HG22 VAL A 402 -3.190 -7.750 -4.133 1.00 0.52 H new ATOM 0 HG23 VAL A 402 -1.745 -8.435 -3.352 1.00 0.52 H new ATOM 654 N GLU A 403 -0.731 -4.238 -5.967 1.00 0.44 N ATOM 655 CA GLU A 403 -0.017 -3.015 -6.306 1.00 0.45 C ATOM 656 C GLU A 403 -0.764 -1.782 -5.810 1.00 0.44 C ATOM 657 O GLU A 403 -1.808 -1.415 -6.352 1.00 0.54 O ATOM 658 CB GLU A 403 0.193 -2.924 -7.820 1.00 0.52 C ATOM 659 CG GLU A 403 0.966 -4.097 -8.398 1.00 0.57 C ATOM 660 CD GLU A 403 0.808 -4.215 -9.901 1.00 0.95 C ATOM 661 OE1 GLU A 403 -0.205 -3.711 -10.433 1.00 1.57 O ATOM 662 OE2 GLU A 403 1.696 -4.809 -10.547 1.00 1.64 O ATOM 0 H GLU A 403 -1.731 -4.215 -6.169 1.00 0.44 H new ATOM 0 HA GLU A 403 0.953 -3.048 -5.810 1.00 0.45 H new ATOM 0 HB2 GLU A 403 -0.779 -2.863 -8.310 1.00 0.52 H new ATOM 0 HB3 GLU A 403 0.725 -2.001 -8.050 1.00 0.52 H new ATOM 0 HG2 GLU A 403 2.023 -3.986 -8.155 1.00 0.57 H new ATOM 0 HG3 GLU A 403 0.626 -5.019 -7.927 1.00 0.57 H new ATOM 669 N CYS A 404 -0.220 -1.143 -4.781 1.00 0.38 N ATOM 670 CA CYS A 404 -0.827 0.056 -4.216 1.00 0.36 C ATOM 671 C CYS A 404 -0.722 1.218 -5.197 1.00 0.36 C ATOM 672 O CYS A 404 0.372 1.698 -5.485 1.00 0.37 O ATOM 673 CB CYS A 404 -0.144 0.426 -2.897 1.00 0.36 C ATOM 674 SG CYS A 404 -0.806 1.916 -2.115 1.00 1.19 S ATOM 0 H CYS A 404 0.642 -1.436 -4.320 1.00 0.38 H new ATOM 0 HA CYS A 404 -1.880 -0.149 -4.024 1.00 0.36 H new ATOM 0 HB2 CYS A 404 -0.241 -0.409 -2.203 1.00 0.36 H new ATOM 0 HB3 CYS A 404 0.921 0.567 -3.079 1.00 0.36 H new ATOM 0 HG CYS A 404 -1.518 1.583 -1.080 1.00 1.19 H new ATOM 680 N ARG A 405 -1.865 1.665 -5.707 1.00 0.38 N ATOM 681 CA ARG A 405 -1.894 2.767 -6.657 1.00 0.40 C ATOM 682 C ARG A 405 -2.526 4.003 -6.034 1.00 0.39 C ATOM 683 O ARG A 405 -3.506 3.906 -5.294 1.00 0.41 O ATOM 684 CB ARG A 405 -2.664 2.366 -7.916 1.00 0.47 C ATOM 685 CG ARG A 405 -2.250 1.016 -8.479 1.00 1.02 C ATOM 686 CD ARG A 405 -3.076 0.646 -9.701 1.00 1.28 C ATOM 687 NE ARG A 405 -2.415 -0.366 -10.522 1.00 1.18 N ATOM 688 CZ ARG A 405 -2.733 -0.614 -11.791 1.00 1.59 C ATOM 689 NH1 ARG A 405 -3.699 0.075 -12.386 1.00 2.22 N ATOM 690 NH2 ARG A 405 -2.083 -1.551 -12.467 1.00 1.87 N ATOM 0 H ARG A 405 -2.781 1.280 -5.478 1.00 0.38 H new ATOM 0 HA ARG A 405 -0.866 3.004 -6.930 1.00 0.40 H new ATOM 0 HB2 ARG A 405 -3.730 2.344 -7.688 1.00 0.47 H new ATOM 0 HB3 ARG A 405 -2.517 3.129 -8.680 1.00 0.47 H new ATOM 0 HG2 ARG A 405 -1.194 1.040 -8.746 1.00 1.02 H new ATOM 0 HG3 ARG A 405 -2.368 0.249 -7.713 1.00 1.02 H new ATOM 0 HD2 ARG A 405 -4.050 0.274 -9.382 1.00 1.28 H new ATOM 0 HD3 ARG A 405 -3.256 1.538 -10.301 1.00 1.28 H new ATOM 0 HE ARG A 405 -1.666 -0.914 -10.098 1.00 1.18 H new ATOM 0 HH11 ARG A 405 -4.201 0.798 -11.871 1.00 2.22 H new ATOM 0 HH12 ARG A 405 -3.939 -0.119 -13.358 1.00 2.22 H new ATOM 0 HH21 ARG A 405 -1.339 -2.082 -12.015 1.00 1.87 H new ATOM 0 HH22 ARG A 405 -2.327 -1.741 -13.439 1.00 1.87 H new ATOM 702 N VAL A 406 -1.960 5.163 -6.338 1.00 0.39 N ATOM 703 CA VAL A 406 -2.471 6.418 -5.805 1.00 0.40 C ATOM 704 C VAL A 406 -3.632 6.940 -6.645 1.00 0.62 C ATOM 705 O VAL A 406 -3.944 6.391 -7.701 1.00 0.91 O ATOM 706 CB VAL A 406 -1.370 7.493 -5.746 1.00 0.53 C ATOM 707 CG1 VAL A 406 -0.285 7.092 -4.758 1.00 0.78 C ATOM 708 CG2 VAL A 406 -0.781 7.734 -7.128 1.00 0.79 C ATOM 0 H VAL A 406 -1.149 5.261 -6.949 1.00 0.39 H new ATOM 0 HA VAL A 406 -2.822 6.213 -4.794 1.00 0.40 H new ATOM 0 HB VAL A 406 -1.817 8.425 -5.401 1.00 0.53 H new ATOM 0 HG11 VAL A 406 0.484 7.864 -4.730 1.00 0.78 H new ATOM 0 HG12 VAL A 406 -0.721 6.978 -3.766 1.00 0.78 H new ATOM 0 HG13 VAL A 406 0.160 6.147 -5.070 1.00 0.78 H new ATOM 0 HG21 VAL A 406 -0.005 8.497 -7.065 1.00 0.79 H new ATOM 0 HG22 VAL A 406 -0.349 6.807 -7.506 1.00 0.79 H new ATOM 0 HG23 VAL A 406 -1.566 8.071 -7.805 1.00 0.79 H new ATOM 744 N THR A 410 -0.102 6.109 -10.139 1.00 0.56 N ATOM 745 CA THR A 410 1.265 5.638 -9.957 1.00 0.52 C ATOM 746 C THR A 410 1.364 4.714 -8.748 1.00 0.46 C ATOM 747 O THR A 410 1.010 5.096 -7.632 1.00 0.48 O ATOM 748 CB THR A 410 2.216 6.825 -9.788 1.00 0.64 C ATOM 749 OG1 THR A 410 2.183 7.660 -10.932 1.00 0.72 O ATOM 750 CG2 THR A 410 3.656 6.415 -9.560 1.00 0.72 C ATOM 0 HA THR A 410 1.552 5.075 -10.845 1.00 0.52 H new ATOM 0 HB THR A 410 1.863 7.353 -8.902 1.00 0.64 H new ATOM 0 HG1 THR A 410 1.275 7.675 -11.300 1.00 0.72 H new ATOM 0 HG21 THR A 410 4.275 7.306 -9.449 1.00 0.72 H new ATOM 0 HG22 THR A 410 3.723 5.811 -8.655 1.00 0.72 H new ATOM 0 HG23 THR A 410 4.008 5.833 -10.412 1.00 0.72 H new ATOM 758 N VAL A 411 1.847 3.497 -8.975 1.00 0.43 N ATOM 759 CA VAL A 411 1.991 2.522 -7.902 1.00 0.40 C ATOM 760 C VAL A 411 3.118 2.918 -6.956 1.00 0.39 C ATOM 761 O VAL A 411 4.285 2.963 -7.348 1.00 0.47 O ATOM 762 CB VAL A 411 2.264 1.109 -8.453 1.00 0.44 C ATOM 763 CG1 VAL A 411 2.250 0.085 -7.329 1.00 1.41 C ATOM 764 CG2 VAL A 411 1.249 0.746 -9.526 1.00 1.31 C ATOM 0 H VAL A 411 2.145 3.163 -9.892 1.00 0.43 H new ATOM 0 HA VAL A 411 1.048 2.508 -7.356 1.00 0.40 H new ATOM 0 HB VAL A 411 3.255 1.103 -8.907 1.00 0.44 H new ATOM 0 HG11 VAL A 411 2.445 -0.907 -7.738 1.00 1.41 H new ATOM 0 HG12 VAL A 411 3.021 0.335 -6.600 1.00 1.41 H new ATOM 0 HG13 VAL A 411 1.275 0.092 -6.843 1.00 1.41 H new ATOM 0 HG21 VAL A 411 1.459 -0.255 -9.902 1.00 1.31 H new ATOM 0 HG22 VAL A 411 0.246 0.771 -9.101 1.00 1.31 H new ATOM 0 HG23 VAL A 411 1.314 1.462 -10.345 1.00 1.31 H new ATOM 774 N LEU A 412 2.759 3.209 -5.712 1.00 0.35 N ATOM 775 CA LEU A 412 3.737 3.608 -4.707 1.00 0.36 C ATOM 776 C LEU A 412 4.218 2.410 -3.893 1.00 0.37 C ATOM 777 O LEU A 412 5.291 2.453 -3.290 1.00 0.41 O ATOM 778 CB LEU A 412 3.133 4.658 -3.774 1.00 0.38 C ATOM 779 CG LEU A 412 4.095 5.765 -3.340 1.00 0.42 C ATOM 780 CD1 LEU A 412 3.994 6.955 -4.282 1.00 0.49 C ATOM 781 CD2 LEU A 412 3.807 6.188 -1.907 1.00 0.61 C ATOM 0 H LEU A 412 1.797 3.176 -5.374 1.00 0.35 H new ATOM 0 HA LEU A 412 4.596 4.033 -5.227 1.00 0.36 H new ATOM 0 HB2 LEU A 412 2.277 5.115 -4.271 1.00 0.38 H new ATOM 0 HB3 LEU A 412 2.754 4.156 -2.883 1.00 0.38 H new ATOM 0 HG LEU A 412 5.113 5.378 -3.385 1.00 0.42 H new ATOM 0 HD11 LEU A 412 4.685 7.734 -3.959 1.00 0.49 H new ATOM 0 HD12 LEU A 412 4.249 6.641 -5.294 1.00 0.49 H new ATOM 0 HD13 LEU A 412 2.976 7.344 -4.268 1.00 0.49 H new ATOM 0 HD21 LEU A 412 4.500 6.976 -1.614 1.00 0.61 H new ATOM 0 HD22 LEU A 412 2.785 6.559 -1.836 1.00 0.61 H new ATOM 0 HD23 LEU A 412 3.929 5.332 -1.243 1.00 0.61 H new ATOM 793 N GLY A 413 3.422 1.346 -3.871 1.00 0.39 N ATOM 794 CA GLY A 413 3.796 0.164 -3.115 1.00 0.45 C ATOM 795 C GLY A 413 3.393 -1.129 -3.797 1.00 0.42 C ATOM 796 O GLY A 413 2.206 -1.425 -3.935 1.00 0.46 O ATOM 0 H GLY A 413 2.529 1.280 -4.360 1.00 0.39 H new ATOM 0 HA2 GLY A 413 4.875 0.165 -2.960 1.00 0.45 H new ATOM 0 HA3 GLY A 413 3.332 0.208 -2.130 1.00 0.45 H new ATOM 800 N THR A 414 4.386 -1.905 -4.219 1.00 0.42 N ATOM 801 CA THR A 414 4.139 -3.176 -4.884 1.00 0.42 C ATOM 802 C THR A 414 4.733 -4.329 -4.078 1.00 0.41 C ATOM 803 O THR A 414 5.929 -4.342 -3.786 1.00 0.48 O ATOM 804 CB THR A 414 4.737 -3.155 -6.292 1.00 0.47 C ATOM 805 OG1 THR A 414 4.076 -2.199 -7.101 1.00 0.50 O ATOM 806 CG2 THR A 414 4.657 -4.489 -7.005 1.00 0.51 C ATOM 0 H THR A 414 5.373 -1.673 -4.111 1.00 0.42 H new ATOM 0 HA THR A 414 3.062 -3.326 -4.957 1.00 0.42 H new ATOM 0 HB THR A 414 5.788 -2.902 -6.152 1.00 0.47 H new ATOM 0 HG1 THR A 414 4.473 -2.198 -7.997 1.00 0.50 H new ATOM 0 HG21 THR A 414 5.100 -4.399 -7.997 1.00 0.51 H new ATOM 0 HG22 THR A 414 5.200 -5.241 -6.432 1.00 0.51 H new ATOM 0 HG23 THR A 414 3.613 -4.789 -7.100 1.00 0.51 H new ATOM 814 N GLY A 415 3.893 -5.295 -3.719 1.00 0.40 N ATOM 815 CA GLY A 415 4.361 -6.432 -2.949 1.00 0.42 C ATOM 816 C GLY A 415 3.457 -7.642 -3.085 1.00 0.42 C ATOM 817 O GLY A 415 2.240 -7.505 -3.216 1.00 0.42 O ATOM 0 H GLY A 415 2.899 -5.310 -3.947 1.00 0.40 H new ATOM 0 HA2 GLY A 415 5.367 -6.697 -3.274 1.00 0.42 H new ATOM 0 HA3 GLY A 415 4.429 -6.151 -1.898 1.00 0.42 H new ATOM 821 N VAL A 416 4.054 -8.829 -3.055 1.00 0.45 N ATOM 822 CA VAL A 416 3.298 -10.069 -3.175 1.00 0.47 C ATOM 823 C VAL A 416 2.926 -10.624 -1.810 1.00 0.49 C ATOM 824 O VAL A 416 3.235 -10.035 -0.773 1.00 0.55 O ATOM 825 CB VAL A 416 4.085 -11.137 -3.969 1.00 0.53 C ATOM 826 CG1 VAL A 416 5.031 -11.922 -3.068 1.00 1.10 C ATOM 827 CG2 VAL A 416 3.139 -12.073 -4.707 1.00 1.32 C ATOM 0 H VAL A 416 5.060 -8.958 -2.948 1.00 0.45 H new ATOM 0 HA VAL A 416 2.385 -9.830 -3.720 1.00 0.47 H new ATOM 0 HB VAL A 416 4.693 -10.614 -4.707 1.00 0.53 H new ATOM 0 HG11 VAL A 416 5.567 -12.663 -3.661 1.00 1.10 H new ATOM 0 HG12 VAL A 416 5.746 -11.239 -2.608 1.00 1.10 H new ATOM 0 HG13 VAL A 416 4.458 -12.426 -2.289 1.00 1.10 H new ATOM 0 HG21 VAL A 416 3.717 -12.815 -5.258 1.00 1.32 H new ATOM 0 HG22 VAL A 416 2.492 -12.577 -3.989 1.00 1.32 H new ATOM 0 HG23 VAL A 416 2.529 -11.498 -5.404 1.00 1.32 H new ATOM 837 N GLY A 417 2.261 -11.763 -1.831 1.00 0.49 N ATOM 838 CA GLY A 417 1.843 -12.409 -0.602 1.00 0.53 C ATOM 839 C GLY A 417 1.098 -13.705 -0.852 1.00 0.58 C ATOM 840 O GLY A 417 0.941 -14.125 -1.998 1.00 0.67 O ATOM 0 H GLY A 417 1.999 -12.259 -2.683 1.00 0.49 H new ATOM 0 HA2 GLY A 417 2.719 -12.610 0.015 1.00 0.53 H new ATOM 0 HA3 GLY A 417 1.204 -11.730 -0.037 1.00 0.53 H new ATOM 844 N ARG A 418 0.636 -14.338 0.220 1.00 0.57 N ATOM 845 CA ARG A 418 -0.099 -15.593 0.110 1.00 0.63 C ATOM 846 C ARG A 418 -1.567 -15.329 -0.206 1.00 0.62 C ATOM 847 O ARG A 418 -2.217 -16.117 -0.894 1.00 0.65 O ATOM 848 CB ARG A 418 0.021 -16.396 1.406 1.00 0.71 C ATOM 849 CG ARG A 418 1.449 -16.786 1.748 1.00 1.15 C ATOM 850 CD ARG A 418 1.626 -16.998 3.243 1.00 1.46 C ATOM 851 NE ARG A 418 2.825 -17.776 3.548 1.00 2.14 N ATOM 852 CZ ARG A 418 2.936 -19.084 3.327 1.00 2.81 C ATOM 853 NH1 ARG A 418 1.924 -19.765 2.803 1.00 3.15 N ATOM 854 NH2 ARG A 418 4.062 -19.714 3.632 1.00 3.66 N ATOM 0 H ARG A 418 0.757 -14.003 1.176 1.00 0.57 H new ATOM 0 HA ARG A 418 0.334 -16.172 -0.705 1.00 0.63 H new ATOM 0 HB2 ARG A 418 -0.394 -15.810 2.227 1.00 0.71 H new ATOM 0 HB3 ARG A 418 -0.583 -17.299 1.322 1.00 0.71 H new ATOM 0 HG2 ARG A 418 1.715 -17.699 1.216 1.00 1.15 H new ATOM 0 HG3 ARG A 418 2.132 -16.008 1.407 1.00 1.15 H new ATOM 0 HD2 ARG A 418 1.685 -16.031 3.742 1.00 1.46 H new ATOM 0 HD3 ARG A 418 0.750 -17.510 3.643 1.00 1.46 H new ATOM 0 HE ARG A 418 3.624 -17.288 3.954 1.00 2.14 H new ATOM 0 HH11 ARG A 418 1.055 -19.286 2.567 1.00 3.15 H new ATOM 0 HH12 ARG A 418 2.016 -20.767 2.636 1.00 3.15 H new ATOM 0 HH21 ARG A 418 4.843 -19.196 4.036 1.00 3.66 H new ATOM 0 HH22 ARG A 418 4.148 -20.716 3.463 1.00 3.66 H new ATOM 866 N ASN A 419 -2.082 -14.214 0.300 1.00 0.60 N ATOM 867 CA ASN A 419 -3.472 -13.837 0.073 1.00 0.64 C ATOM 868 C ASN A 419 -3.616 -12.320 0.028 1.00 0.57 C ATOM 869 O ASN A 419 -2.628 -11.592 0.103 1.00 0.57 O ATOM 870 CB ASN A 419 -4.366 -14.417 1.170 1.00 0.73 C ATOM 871 CG ASN A 419 -4.098 -15.888 1.416 1.00 1.14 C ATOM 872 OD1 ASN A 419 -4.442 -16.740 0.596 1.00 2.08 O ATOM 873 ND2 ASN A 419 -3.482 -16.196 2.552 1.00 1.46 N ATOM 0 H ASN A 419 -1.556 -13.554 0.872 1.00 0.60 H new ATOM 0 HA ASN A 419 -3.785 -14.244 -0.888 1.00 0.64 H new ATOM 0 HB2 ASN A 419 -4.208 -13.862 2.095 1.00 0.73 H new ATOM 0 HB3 ASN A 419 -5.411 -14.282 0.892 1.00 0.73 H new ATOM 0 HD21 ASN A 419 -3.277 -17.170 2.773 1.00 1.46 H new ATOM 0 HD22 ASN A 419 -3.214 -15.458 3.203 1.00 1.46 H new ATOM 880 N ILE A 420 -4.853 -11.849 -0.092 1.00 0.61 N ATOM 881 CA ILE A 420 -5.120 -10.418 -0.144 1.00 0.58 C ATOM 882 C ILE A 420 -4.647 -9.727 1.131 1.00 0.54 C ATOM 883 O ILE A 420 -4.267 -8.556 1.112 1.00 0.52 O ATOM 884 CB ILE A 420 -6.619 -10.130 -0.351 1.00 0.64 C ATOM 885 CG1 ILE A 420 -7.137 -10.872 -1.584 1.00 1.33 C ATOM 886 CG2 ILE A 420 -6.863 -8.634 -0.489 1.00 1.46 C ATOM 887 CD1 ILE A 420 -7.791 -12.198 -1.261 1.00 1.99 C ATOM 0 H ILE A 420 -5.684 -12.437 -0.155 1.00 0.61 H new ATOM 0 HA ILE A 420 -4.566 -10.023 -0.995 1.00 0.58 H new ATOM 0 HB ILE A 420 -7.163 -10.487 0.524 1.00 0.64 H new ATOM 0 HG12 ILE A 420 -7.856 -10.239 -2.104 1.00 1.33 H new ATOM 0 HG13 ILE A 420 -6.308 -11.043 -2.270 1.00 1.33 H new ATOM 0 HG21 ILE A 420 -7.928 -8.451 -0.634 1.00 1.46 H new ATOM 0 HG22 ILE A 420 -6.528 -8.126 0.415 1.00 1.46 H new ATOM 0 HG23 ILE A 420 -6.309 -8.253 -1.347 1.00 1.46 H new ATOM 0 HD11 ILE A 420 -8.134 -12.668 -2.182 1.00 1.99 H new ATOM 0 HD12 ILE A 420 -7.069 -12.849 -0.768 1.00 1.99 H new ATOM 0 HD13 ILE A 420 -8.641 -12.033 -0.599 1.00 1.99 H new ATOM 899 N LYS A 421 -4.673 -10.461 2.241 1.00 0.57 N ATOM 900 CA LYS A 421 -4.247 -9.918 3.526 1.00 0.58 C ATOM 901 C LYS A 421 -2.735 -9.737 3.570 1.00 0.53 C ATOM 902 O LYS A 421 -2.237 -8.663 3.907 1.00 0.52 O ATOM 903 CB LYS A 421 -4.695 -10.834 4.665 1.00 0.65 C ATOM 904 CG LYS A 421 -4.583 -10.193 6.038 1.00 1.43 C ATOM 905 CD LYS A 421 -4.075 -11.181 7.075 1.00 2.32 C ATOM 906 CE LYS A 421 -5.202 -12.043 7.622 1.00 2.92 C ATOM 907 NZ LYS A 421 -4.692 -13.297 8.240 1.00 3.72 N ATOM 0 H LYS A 421 -4.984 -11.432 2.275 1.00 0.57 H new ATOM 0 HA LYS A 421 -4.714 -8.941 3.649 1.00 0.58 H new ATOM 0 HB2 LYS A 421 -5.730 -11.132 4.495 1.00 0.65 H new ATOM 0 HB3 LYS A 421 -4.094 -11.743 4.647 1.00 0.65 H new ATOM 0 HG2 LYS A 421 -3.909 -9.338 5.988 1.00 1.43 H new ATOM 0 HG3 LYS A 421 -5.558 -9.812 6.343 1.00 1.43 H new ATOM 0 HD2 LYS A 421 -3.312 -11.818 6.629 1.00 2.32 H new ATOM 0 HD3 LYS A 421 -3.600 -10.640 7.893 1.00 2.32 H new ATOM 0 HE2 LYS A 421 -5.766 -11.476 8.363 1.00 2.92 H new ATOM 0 HE3 LYS A 421 -5.893 -12.290 6.817 1.00 2.92 H new ATOM 0 HZ1 LYS A 421 -5.491 -13.856 8.601 1.00 3.72 H new ATOM 0 HZ2 LYS A 421 -4.176 -13.851 7.527 1.00 3.72 H new ATOM 0 HZ3 LYS A 421 -4.052 -13.062 9.025 1.00 3.72 H new ATOM 921 N ILE A 422 -2.012 -10.794 3.228 1.00 0.53 N ATOM 922 CA ILE A 422 -0.555 -10.756 3.227 1.00 0.51 C ATOM 923 C ILE A 422 -0.037 -9.796 2.164 1.00 0.46 C ATOM 924 O ILE A 422 0.669 -8.834 2.468 1.00 0.45 O ATOM 925 CB ILE A 422 0.048 -12.158 2.990 1.00 0.54 C ATOM 926 CG1 ILE A 422 -0.242 -13.068 4.184 1.00 0.61 C ATOM 927 CG2 ILE A 422 1.550 -12.069 2.743 1.00 0.53 C ATOM 928 CD1 ILE A 422 -1.665 -13.580 4.223 1.00 0.78 C ATOM 0 H ILE A 422 -2.410 -11.690 2.947 1.00 0.53 H new ATOM 0 HA ILE A 422 -0.244 -10.405 4.211 1.00 0.51 H new ATOM 0 HB ILE A 422 -0.418 -12.585 2.102 1.00 0.54 H new ATOM 0 HG12 ILE A 422 0.440 -13.918 4.157 1.00 0.61 H new ATOM 0 HG13 ILE A 422 -0.036 -12.522 5.105 1.00 0.61 H new ATOM 0 HG21 ILE A 422 1.952 -13.069 2.579 1.00 0.53 H new ATOM 0 HG22 ILE A 422 1.738 -11.453 1.863 1.00 0.53 H new ATOM 0 HG23 ILE A 422 2.035 -11.621 3.610 1.00 0.53 H new ATOM 0 HD11 ILE A 422 -1.798 -14.219 5.096 1.00 0.78 H new ATOM 0 HD12 ILE A 422 -2.354 -12.737 4.282 1.00 0.78 H new ATOM 0 HD13 ILE A 422 -1.870 -14.154 3.319 1.00 0.78 H new ATOM 940 N ALA A 423 -0.392 -10.069 0.915 1.00 0.44 N ATOM 941 CA ALA A 423 0.035 -9.236 -0.202 1.00 0.42 C ATOM 942 C ALA A 423 -0.238 -7.762 0.078 1.00 0.41 C ATOM 943 O ALA A 423 0.580 -6.897 -0.235 1.00 0.41 O ATOM 944 CB ALA A 423 -0.659 -9.673 -1.483 1.00 0.43 C ATOM 0 H ALA A 423 -0.976 -10.862 0.650 1.00 0.44 H new ATOM 0 HA ALA A 423 1.111 -9.361 -0.327 1.00 0.42 H new ATOM 0 HB1 ALA A 423 -0.330 -9.042 -2.309 1.00 0.43 H new ATOM 0 HB2 ALA A 423 -0.407 -10.711 -1.697 1.00 0.43 H new ATOM 0 HB3 ALA A 423 -1.738 -9.579 -1.362 1.00 0.43 H new ATOM 950 N GLY A 424 -1.390 -7.487 0.677 1.00 0.43 N ATOM 951 CA GLY A 424 -1.748 -6.120 1.002 1.00 0.44 C ATOM 952 C GLY A 424 -0.771 -5.495 1.976 1.00 0.43 C ATOM 953 O GLY A 424 -0.388 -4.335 1.826 1.00 0.44 O ATOM 0 H GLY A 424 -2.083 -8.187 0.944 1.00 0.43 H new ATOM 0 HA2 GLY A 424 -1.779 -5.526 0.088 1.00 0.44 H new ATOM 0 HA3 GLY A 424 -2.750 -6.099 1.430 1.00 0.44 H new ATOM 957 N ILE A 425 -0.361 -6.271 2.975 1.00 0.44 N ATOM 958 CA ILE A 425 0.585 -5.794 3.974 1.00 0.46 C ATOM 959 C ILE A 425 1.977 -5.648 3.367 1.00 0.44 C ATOM 960 O ILE A 425 2.749 -4.774 3.760 1.00 0.45 O ATOM 961 CB ILE A 425 0.655 -6.750 5.184 1.00 0.52 C ATOM 962 CG1 ILE A 425 -0.718 -6.869 5.848 1.00 0.57 C ATOM 963 CG2 ILE A 425 1.692 -6.269 6.191 1.00 0.55 C ATOM 964 CD1 ILE A 425 -0.851 -8.075 6.752 1.00 0.61 C ATOM 0 H ILE A 425 -0.670 -7.233 3.113 1.00 0.44 H new ATOM 0 HA ILE A 425 0.233 -4.821 4.317 1.00 0.46 H new ATOM 0 HB ILE A 425 0.956 -7.735 4.827 1.00 0.52 H new ATOM 0 HG12 ILE A 425 -0.911 -5.967 6.429 1.00 0.57 H new ATOM 0 HG13 ILE A 425 -1.484 -6.919 5.074 1.00 0.57 H new ATOM 0 HG21 ILE A 425 1.725 -6.957 7.036 1.00 0.55 H new ATOM 0 HG22 ILE A 425 2.672 -6.232 5.715 1.00 0.55 H new ATOM 0 HG23 ILE A 425 1.422 -5.274 6.544 1.00 0.55 H new ATOM 0 HD11 ILE A 425 -1.850 -8.095 7.188 1.00 0.61 H new ATOM 0 HD12 ILE A 425 -0.690 -8.984 6.172 1.00 0.61 H new ATOM 0 HD13 ILE A 425 -0.109 -8.017 7.548 1.00 0.61 H new ATOM 976 N ARG A 426 2.288 -6.511 2.404 1.00 0.43 N ATOM 977 CA ARG A 426 3.584 -6.479 1.739 1.00 0.43 C ATOM 978 C ARG A 426 3.694 -5.263 0.829 1.00 0.40 C ATOM 979 O ARG A 426 4.720 -4.583 0.806 1.00 0.42 O ATOM 980 CB ARG A 426 3.798 -7.761 0.931 1.00 0.45 C ATOM 981 CG ARG A 426 4.485 -8.866 1.717 1.00 0.85 C ATOM 982 CD ARG A 426 5.510 -9.604 0.869 1.00 1.30 C ATOM 983 NE ARG A 426 6.755 -9.838 1.597 1.00 1.86 N ATOM 984 CZ ARG A 426 7.780 -10.530 1.108 1.00 2.41 C ATOM 985 NH1 ARG A 426 7.713 -11.059 -0.108 1.00 2.71 N ATOM 986 NH2 ARG A 426 8.877 -10.695 1.835 1.00 3.25 N ATOM 0 H ARG A 426 1.659 -7.240 2.068 1.00 0.43 H new ATOM 0 HA ARG A 426 4.358 -6.409 2.503 1.00 0.43 H new ATOM 0 HB2 ARG A 426 2.833 -8.124 0.578 1.00 0.45 H new ATOM 0 HB3 ARG A 426 4.394 -7.529 0.048 1.00 0.45 H new ATOM 0 HG2 ARG A 426 4.975 -8.440 2.592 1.00 0.85 H new ATOM 0 HG3 ARG A 426 3.739 -9.571 2.082 1.00 0.85 H new ATOM 0 HD2 ARG A 426 5.094 -10.558 0.546 1.00 1.30 H new ATOM 0 HD3 ARG A 426 5.719 -9.026 -0.031 1.00 1.30 H new ATOM 0 HE ARG A 426 6.843 -9.448 2.535 1.00 1.86 H new ATOM 0 HH11 ARG A 426 6.872 -10.936 -0.672 1.00 2.71 H new ATOM 0 HH12 ARG A 426 8.502 -11.589 -0.478 1.00 2.71 H new ATOM 0 HH21 ARG A 426 8.935 -10.291 2.770 1.00 3.25 H new ATOM 0 HH22 ARG A 426 9.663 -11.226 1.459 1.00 3.25 H new ATOM 998 N ALA A 427 2.630 -4.993 0.083 1.00 0.38 N ATOM 999 CA ALA A 427 2.606 -3.855 -0.826 1.00 0.38 C ATOM 1000 C ALA A 427 2.774 -2.550 -0.060 1.00 0.35 C ATOM 1001 O ALA A 427 3.619 -1.722 -0.400 1.00 0.36 O ATOM 1002 CB ALA A 427 1.312 -3.841 -1.627 1.00 0.41 C ATOM 0 H ALA A 427 1.773 -5.546 0.090 1.00 0.38 H new ATOM 0 HA ALA A 427 3.441 -3.953 -1.520 1.00 0.38 H new ATOM 0 HB1 ALA A 427 1.311 -2.984 -2.301 1.00 0.41 H new ATOM 0 HB2 ALA A 427 1.234 -4.760 -2.208 1.00 0.41 H new ATOM 0 HB3 ALA A 427 0.464 -3.769 -0.946 1.00 0.41 H new ATOM 1008 N ALA A 428 1.973 -2.384 0.985 1.00 0.35 N ATOM 1009 CA ALA A 428 2.040 -1.188 1.814 1.00 0.33 C ATOM 1010 C ALA A 428 3.414 -1.064 2.454 1.00 0.33 C ATOM 1011 O ALA A 428 3.978 0.026 2.542 1.00 0.33 O ATOM 1012 CB ALA A 428 0.961 -1.224 2.885 1.00 0.36 C ATOM 0 H ALA A 428 1.270 -3.062 1.278 1.00 0.35 H new ATOM 0 HA ALA A 428 1.871 -0.318 1.180 1.00 0.33 H new ATOM 0 HB1 ALA A 428 1.025 -0.324 3.496 1.00 0.36 H new ATOM 0 HB2 ALA A 428 -0.020 -1.273 2.412 1.00 0.36 H new ATOM 0 HB3 ALA A 428 1.104 -2.101 3.516 1.00 0.36 H new ATOM 1018 N GLU A 429 3.950 -2.198 2.889 1.00 0.34 N ATOM 1019 CA GLU A 429 5.266 -2.227 3.512 1.00 0.37 C ATOM 1020 C GLU A 429 6.327 -1.783 2.514 1.00 0.39 C ATOM 1021 O GLU A 429 7.283 -1.095 2.870 1.00 0.43 O ATOM 1022 CB GLU A 429 5.583 -3.631 4.029 1.00 0.42 C ATOM 1023 CG GLU A 429 5.212 -3.835 5.488 1.00 0.44 C ATOM 1024 CD GLU A 429 5.805 -5.103 6.069 1.00 0.56 C ATOM 1025 OE1 GLU A 429 5.442 -6.200 5.593 1.00 1.21 O ATOM 1026 OE2 GLU A 429 6.633 -5.001 6.998 1.00 1.35 O ATOM 0 H GLU A 429 3.494 -3.108 2.822 1.00 0.34 H new ATOM 0 HA GLU A 429 5.266 -1.539 4.357 1.00 0.37 H new ATOM 0 HB2 GLU A 429 5.051 -4.363 3.421 1.00 0.42 H new ATOM 0 HB3 GLU A 429 6.648 -3.825 3.902 1.00 0.42 H new ATOM 0 HG2 GLU A 429 5.555 -2.979 6.069 1.00 0.44 H new ATOM 0 HG3 GLU A 429 4.127 -3.870 5.581 1.00 0.44 H new ATOM 1033 N ASN A 430 6.137 -2.172 1.258 1.00 0.38 N ATOM 1034 CA ASN A 430 7.063 -1.805 0.196 1.00 0.41 C ATOM 1035 C ASN A 430 7.045 -0.296 -0.019 1.00 0.41 C ATOM 1036 O ASN A 430 8.059 0.304 -0.376 1.00 0.47 O ATOM 1037 CB ASN A 430 6.696 -2.527 -1.103 1.00 0.42 C ATOM 1038 CG ASN A 430 7.591 -3.719 -1.376 1.00 0.57 C ATOM 1039 OD1 ASN A 430 7.686 -4.638 -0.562 1.00 1.09 O ATOM 1040 ND2 ASN A 430 8.254 -3.710 -2.526 1.00 0.74 N ATOM 0 H ASN A 430 5.349 -2.742 0.951 1.00 0.38 H new ATOM 0 HA ASN A 430 8.068 -2.107 0.491 1.00 0.41 H new ATOM 0 HB2 ASN A 430 5.659 -2.860 -1.050 1.00 0.42 H new ATOM 0 HB3 ASN A 430 6.764 -1.827 -1.936 1.00 0.42 H new ATOM 0 HD21 ASN A 430 8.872 -4.486 -2.764 1.00 0.74 H new ATOM 0 HD22 ASN A 430 8.145 -2.928 -3.171 1.00 0.74 H new ATOM 1047 N ALA A 431 5.883 0.309 0.209 1.00 0.38 N ATOM 1048 CA ALA A 431 5.724 1.747 0.051 1.00 0.42 C ATOM 1049 C ALA A 431 6.325 2.490 1.238 1.00 0.44 C ATOM 1050 O ALA A 431 6.838 3.600 1.095 1.00 0.49 O ATOM 1051 CB ALA A 431 4.253 2.099 -0.110 1.00 0.42 C ATOM 0 H ALA A 431 5.037 -0.178 0.505 1.00 0.38 H new ATOM 0 HA ALA A 431 6.257 2.056 -0.848 1.00 0.42 H new ATOM 0 HB1 ALA A 431 4.148 3.178 -0.227 1.00 0.42 H new ATOM 0 HB2 ALA A 431 3.853 1.597 -0.991 1.00 0.42 H new ATOM 0 HB3 ALA A 431 3.702 1.775 0.773 1.00 0.42 H new ATOM 1057 N LEU A 432 6.261 1.867 2.412 1.00 0.42 N ATOM 1058 CA LEU A 432 6.802 2.466 3.626 1.00 0.48 C ATOM 1059 C LEU A 432 8.328 2.415 3.623 1.00 0.58 C ATOM 1060 O LEU A 432 8.987 3.250 4.243 1.00 0.68 O ATOM 1061 CB LEU A 432 6.258 1.747 4.861 1.00 0.56 C ATOM 1062 CG LEU A 432 4.837 2.144 5.266 1.00 0.76 C ATOM 1063 CD1 LEU A 432 4.058 0.931 5.753 1.00 1.01 C ATOM 1064 CD2 LEU A 432 4.870 3.224 6.336 1.00 1.42 C ATOM 0 H LEU A 432 5.840 0.948 2.547 1.00 0.42 H new ATOM 0 HA LEU A 432 6.491 3.510 3.657 1.00 0.48 H new ATOM 0 HB2 LEU A 432 6.281 0.673 4.677 1.00 0.56 H new ATOM 0 HB3 LEU A 432 6.926 1.941 5.700 1.00 0.56 H new ATOM 0 HG LEU A 432 4.330 2.545 4.388 1.00 0.76 H new ATOM 0 HD11 LEU A 432 3.050 1.235 6.036 1.00 1.01 H new ATOM 0 HD12 LEU A 432 4.003 0.190 4.956 1.00 1.01 H new ATOM 0 HD13 LEU A 432 4.562 0.498 6.617 1.00 1.01 H new ATOM 0 HD21 LEU A 432 3.851 3.494 6.612 1.00 1.42 H new ATOM 0 HD22 LEU A 432 5.397 2.850 7.214 1.00 1.42 H new ATOM 0 HD23 LEU A 432 5.386 4.103 5.950 1.00 1.42 H new ATOM 1076 N ARG A 433 8.882 1.430 2.921 1.00 0.59 N ATOM 1077 CA ARG A 433 10.328 1.270 2.837 1.00 0.74 C ATOM 1078 C ARG A 433 10.981 2.511 2.237 1.00 0.61 C ATOM 1079 O ARG A 433 12.036 2.954 2.694 1.00 0.77 O ATOM 1080 CB ARG A 433 10.679 0.039 1.998 1.00 0.98 C ATOM 1081 CG ARG A 433 10.862 -1.226 2.819 1.00 1.27 C ATOM 1082 CD ARG A 433 11.676 -2.265 2.065 1.00 1.66 C ATOM 1083 NE ARG A 433 11.851 -3.492 2.839 1.00 2.16 N ATOM 1084 CZ ARG A 433 12.786 -4.403 2.582 1.00 2.82 C ATOM 1085 NH1 ARG A 433 13.632 -4.230 1.574 1.00 3.18 N ATOM 1086 NH2 ARG A 433 12.877 -5.491 3.335 1.00 3.67 N ATOM 0 H ARG A 433 8.350 0.731 2.402 1.00 0.59 H new ATOM 0 HA ARG A 433 10.711 1.134 3.848 1.00 0.74 H new ATOM 0 HB2 ARG A 433 9.891 -0.126 1.263 1.00 0.98 H new ATOM 0 HB3 ARG A 433 11.596 0.238 1.443 1.00 0.98 H new ATOM 0 HG2 ARG A 433 11.360 -0.983 3.758 1.00 1.27 H new ATOM 0 HG3 ARG A 433 9.887 -1.641 3.073 1.00 1.27 H new ATOM 0 HD2 ARG A 433 11.181 -2.499 1.122 1.00 1.66 H new ATOM 0 HD3 ARG A 433 12.653 -1.850 1.818 1.00 1.66 H new ATOM 0 HE ARG A 433 11.219 -3.660 3.622 1.00 2.16 H new ATOM 0 HH11 ARG A 433 13.567 -3.395 0.992 1.00 3.18 H new ATOM 0 HH12 ARG A 433 14.347 -4.932 1.382 1.00 3.18 H new ATOM 0 HH21 ARG A 433 12.230 -5.629 4.111 1.00 3.67 H new ATOM 0 HH22 ARG A 433 13.594 -6.189 3.138 1.00 3.67 H new ATOM 1098 N ASP A 434 10.347 3.067 1.213 1.00 0.48 N ATOM 1099 CA ASP A 434 10.863 4.258 0.546 1.00 0.57 C ATOM 1100 C ASP A 434 10.894 5.444 1.504 1.00 0.51 C ATOM 1101 O ASP A 434 9.988 6.277 1.506 1.00 0.51 O ATOM 1102 CB ASP A 434 10.009 4.595 -0.676 1.00 0.72 C ATOM 1103 CG ASP A 434 10.132 3.554 -1.772 1.00 1.35 C ATOM 1104 OD1 ASP A 434 11.244 3.396 -2.319 1.00 2.08 O ATOM 1105 OD2 ASP A 434 9.116 2.898 -2.084 1.00 1.98 O ATOM 0 H ASP A 434 9.473 2.713 0.825 1.00 0.48 H new ATOM 0 HA ASP A 434 11.882 4.050 0.220 1.00 0.57 H new ATOM 0 HB2 ASP A 434 8.965 4.679 -0.374 1.00 0.72 H new ATOM 0 HB3 ASP A 434 10.307 5.568 -1.067 1.00 0.72 H new ATOM 1110 N LYS A 435 11.941 5.513 2.319 1.00 0.57 N ATOM 1111 CA LYS A 435 12.092 6.595 3.286 1.00 0.60 C ATOM 1112 C LYS A 435 12.104 7.953 2.592 1.00 0.62 C ATOM 1113 O LYS A 435 11.634 8.947 3.145 1.00 0.62 O ATOM 1114 CB LYS A 435 13.378 6.409 4.093 1.00 0.73 C ATOM 1115 CG LYS A 435 13.191 5.580 5.353 1.00 1.51 C ATOM 1116 CD LYS A 435 14.386 5.702 6.284 1.00 1.89 C ATOM 1117 CE LYS A 435 13.980 5.522 7.738 1.00 2.58 C ATOM 1118 NZ LYS A 435 15.123 5.078 8.584 1.00 3.16 N ATOM 0 H LYS A 435 12.699 4.831 2.329 1.00 0.57 H new ATOM 0 HA LYS A 435 11.238 6.564 3.963 1.00 0.60 H new ATOM 0 HB2 LYS A 435 14.127 5.931 3.462 1.00 0.73 H new ATOM 0 HB3 LYS A 435 13.770 7.388 4.367 1.00 0.73 H new ATOM 0 HG2 LYS A 435 12.289 5.905 5.873 1.00 1.51 H new ATOM 0 HG3 LYS A 435 13.044 4.534 5.083 1.00 1.51 H new ATOM 0 HD2 LYS A 435 15.133 4.954 6.019 1.00 1.89 H new ATOM 0 HD3 LYS A 435 14.852 6.679 6.153 1.00 1.89 H new ATOM 0 HE2 LYS A 435 13.587 6.462 8.124 1.00 2.58 H new ATOM 0 HE3 LYS A 435 13.175 4.790 7.802 1.00 2.58 H new ATOM 0 HZ1 LYS A 435 14.804 4.967 9.568 1.00 3.16 H new ATOM 0 HZ2 LYS A 435 15.483 4.168 8.232 1.00 3.16 H new ATOM 0 HZ3 LYS A 435 15.881 5.789 8.544 1.00 3.16 H new ATOM 1132 N LYS A 436 12.642 7.989 1.378 1.00 0.69 N ATOM 1133 CA LYS A 436 12.710 9.228 0.612 1.00 0.75 C ATOM 1134 C LYS A 436 11.327 9.635 0.128 1.00 0.68 C ATOM 1135 O LYS A 436 10.909 10.781 0.294 1.00 0.68 O ATOM 1136 CB LYS A 436 13.654 9.068 -0.582 1.00 0.85 C ATOM 1137 CG LYS A 436 15.120 8.975 -0.191 1.00 1.21 C ATOM 1138 CD LYS A 436 15.381 7.779 0.709 1.00 2.26 C ATOM 1139 CE LYS A 436 16.866 7.466 0.807 1.00 3.04 C ATOM 1140 NZ LYS A 436 17.135 6.006 0.701 1.00 3.85 N ATOM 0 H LYS A 436 13.037 7.177 0.904 1.00 0.69 H new ATOM 0 HA LYS A 436 13.097 10.010 1.265 1.00 0.75 H new ATOM 0 HB2 LYS A 436 13.377 8.171 -1.136 1.00 0.85 H new ATOM 0 HB3 LYS A 436 13.520 9.914 -1.257 1.00 0.85 H new ATOM 0 HG2 LYS A 436 15.733 8.897 -1.089 1.00 1.21 H new ATOM 0 HG3 LYS A 436 15.420 9.889 0.321 1.00 1.21 H new ATOM 0 HD2 LYS A 436 14.984 7.978 1.704 1.00 2.26 H new ATOM 0 HD3 LYS A 436 14.850 6.909 0.322 1.00 2.26 H new ATOM 0 HE2 LYS A 436 17.401 7.992 0.016 1.00 3.04 H new ATOM 0 HE3 LYS A 436 17.253 7.838 1.755 1.00 3.04 H new ATOM 0 HZ1 LYS A 436 18.158 5.835 0.773 1.00 3.85 H new ATOM 0 HZ2 LYS A 436 16.646 5.506 1.471 1.00 3.85 H new ATOM 0 HZ3 LYS A 436 16.789 5.655 -0.215 1.00 3.85 H new ATOM 1154 N MET A 437 10.618 8.684 -0.463 1.00 0.64 N ATOM 1155 CA MET A 437 9.275 8.930 -0.968 1.00 0.61 C ATOM 1156 C MET A 437 8.302 9.155 0.183 1.00 0.51 C ATOM 1157 O MET A 437 7.308 9.867 0.040 1.00 0.50 O ATOM 1158 CB MET A 437 8.807 7.754 -1.829 1.00 0.62 C ATOM 1159 CG MET A 437 7.401 7.923 -2.378 1.00 0.60 C ATOM 1160 SD MET A 437 7.275 7.473 -4.121 1.00 0.98 S ATOM 1161 CE MET A 437 8.036 8.900 -4.894 1.00 1.79 C ATOM 0 H MET A 437 10.952 7.731 -0.605 1.00 0.64 H new ATOM 0 HA MET A 437 9.300 9.830 -1.583 1.00 0.61 H new ATOM 0 HB2 MET A 437 9.500 7.625 -2.661 1.00 0.62 H new ATOM 0 HB3 MET A 437 8.849 6.841 -1.235 1.00 0.62 H new ATOM 0 HG2 MET A 437 6.713 7.309 -1.798 1.00 0.60 H new ATOM 0 HG3 MET A 437 7.088 8.959 -2.251 1.00 0.60 H new ATOM 0 HE1 MET A 437 8.034 8.772 -5.976 1.00 1.79 H new ATOM 0 HE2 MET A 437 7.475 9.797 -4.634 1.00 1.79 H new ATOM 0 HE3 MET A 437 9.063 9.000 -4.543 1.00 1.79 H new ATOM 1171 N LEU A 438 8.598 8.546 1.328 1.00 0.47 N ATOM 1172 CA LEU A 438 7.751 8.685 2.506 1.00 0.41 C ATOM 1173 C LEU A 438 7.980 10.037 3.175 1.00 0.43 C ATOM 1174 O LEU A 438 7.065 10.614 3.762 1.00 0.40 O ATOM 1175 CB LEU A 438 8.029 7.556 3.501 1.00 0.43 C ATOM 1176 CG LEU A 438 6.836 7.147 4.365 1.00 0.44 C ATOM 1177 CD1 LEU A 438 6.274 8.352 5.102 1.00 0.55 C ATOM 1178 CD2 LEU A 438 5.761 6.493 3.510 1.00 0.73 C ATOM 0 H LEU A 438 9.417 7.953 1.464 1.00 0.47 H new ATOM 0 HA LEU A 438 6.711 8.625 2.186 1.00 0.41 H new ATOM 0 HB2 LEU A 438 8.375 6.682 2.949 1.00 0.43 H new ATOM 0 HB3 LEU A 438 8.845 7.862 4.156 1.00 0.43 H new ATOM 0 HG LEU A 438 7.176 6.422 5.104 1.00 0.44 H new ATOM 0 HD11 LEU A 438 5.425 8.042 5.712 1.00 0.55 H new ATOM 0 HD12 LEU A 438 7.045 8.779 5.743 1.00 0.55 H new ATOM 0 HD13 LEU A 438 5.948 9.100 4.380 1.00 0.55 H new ATOM 0 HD21 LEU A 438 4.919 6.208 4.140 1.00 0.73 H new ATOM 0 HD22 LEU A 438 5.423 7.197 2.749 1.00 0.73 H new ATOM 0 HD23 LEU A 438 6.170 5.605 3.027 1.00 0.73 H new ATOM 1190 N ASP A 439 9.207 10.538 3.074 1.00 0.51 N ATOM 1191 CA ASP A 439 9.556 11.824 3.663 1.00 0.56 C ATOM 1192 C ASP A 439 8.913 12.965 2.883 1.00 0.54 C ATOM 1193 O ASP A 439 8.456 13.948 3.464 1.00 0.55 O ATOM 1194 CB ASP A 439 11.077 11.998 3.698 1.00 0.65 C ATOM 1195 CG ASP A 439 11.629 11.990 5.110 1.00 0.98 C ATOM 1196 OD1 ASP A 439 11.634 10.911 5.739 1.00 1.57 O ATOM 1197 OD2 ASP A 439 12.054 13.063 5.588 1.00 1.69 O ATOM 0 H ASP A 439 9.975 10.073 2.590 1.00 0.51 H new ATOM 0 HA ASP A 439 9.176 11.848 4.684 1.00 0.56 H new ATOM 0 HB2 ASP A 439 11.544 11.198 3.124 1.00 0.65 H new ATOM 0 HB3 ASP A 439 11.344 12.937 3.212 1.00 0.65 H new ATOM 1202 N PHE A 440 8.881 12.824 1.562 1.00 0.53 N ATOM 1203 CA PHE A 440 8.291 13.841 0.700 1.00 0.54 C ATOM 1204 C PHE A 440 6.808 14.013 1.009 1.00 0.47 C ATOM 1205 O PHE A 440 6.299 15.132 1.064 1.00 0.48 O ATOM 1206 CB PHE A 440 8.477 13.465 -0.769 1.00 0.58 C ATOM 1207 CG PHE A 440 8.862 14.626 -1.641 1.00 0.77 C ATOM 1208 CD1 PHE A 440 8.201 15.839 -1.534 1.00 1.48 C ATOM 1209 CD2 PHE A 440 9.885 14.504 -2.568 1.00 1.52 C ATOM 1210 CE1 PHE A 440 8.553 16.909 -2.335 1.00 1.68 C ATOM 1211 CE2 PHE A 440 10.242 15.571 -3.371 1.00 1.75 C ATOM 1212 CZ PHE A 440 9.574 16.774 -3.255 1.00 1.40 C ATOM 0 H PHE A 440 9.256 12.016 1.066 1.00 0.53 H new ATOM 0 HA PHE A 440 8.799 14.786 0.891 1.00 0.54 H new ATOM 0 HB2 PHE A 440 9.244 12.694 -0.844 1.00 0.58 H new ATOM 0 HB3 PHE A 440 7.551 13.030 -1.145 1.00 0.58 H new ATOM 0 HD1 PHE A 440 7.401 15.950 -0.816 1.00 1.48 H new ATOM 0 HD2 PHE A 440 10.409 13.565 -2.664 1.00 1.52 H new ATOM 0 HE1 PHE A 440 8.030 17.849 -2.242 1.00 1.68 H new ATOM 0 HE2 PHE A 440 11.042 15.464 -4.088 1.00 1.75 H new ATOM 0 HZ PHE A 440 9.850 17.608 -3.883 1.00 1.40 H new ATOM 1222 N TYR A 441 6.122 12.894 1.217 1.00 0.42 N ATOM 1223 CA TYR A 441 4.701 12.916 1.530 1.00 0.37 C ATOM 1224 C TYR A 441 4.495 13.219 3.001 1.00 0.36 C ATOM 1225 O TYR A 441 3.620 13.999 3.368 1.00 0.40 O ATOM 1226 CB TYR A 441 4.054 11.580 1.174 1.00 0.34 C ATOM 1227 CG TYR A 441 3.618 11.485 -0.270 1.00 0.37 C ATOM 1228 CD1 TYR A 441 4.514 11.116 -1.264 1.00 1.27 C ATOM 1229 CD2 TYR A 441 2.310 11.766 -0.637 1.00 1.22 C ATOM 1230 CE1 TYR A 441 4.119 11.030 -2.585 1.00 1.29 C ATOM 1231 CE2 TYR A 441 1.904 11.683 -1.955 1.00 1.25 C ATOM 1232 CZ TYR A 441 2.812 11.314 -2.926 1.00 0.48 C ATOM 1233 OH TYR A 441 2.415 11.230 -4.240 1.00 0.55 O ATOM 0 H TYR A 441 6.530 11.960 1.174 1.00 0.42 H new ATOM 0 HA TYR A 441 4.228 13.699 0.938 1.00 0.37 H new ATOM 0 HB2 TYR A 441 4.759 10.776 1.386 1.00 0.34 H new ATOM 0 HB3 TYR A 441 3.188 11.422 1.817 1.00 0.34 H new ATOM 0 HD1 TYR A 441 5.537 10.892 -1.000 1.00 1.27 H new ATOM 0 HD2 TYR A 441 1.597 12.055 0.121 1.00 1.22 H new ATOM 0 HE1 TYR A 441 4.829 10.742 -3.346 1.00 1.29 H new ATOM 0 HE2 TYR A 441 0.882 11.906 -2.224 1.00 1.25 H new ATOM 0 HH TYR A 441 2.949 10.550 -4.700 1.00 0.55 H new ATOM 1243 N ALA A 442 5.314 12.605 3.843 1.00 0.38 N ATOM 1244 CA ALA A 442 5.225 12.824 5.279 1.00 0.41 C ATOM 1245 C ALA A 442 5.355 14.306 5.607 1.00 0.45 C ATOM 1246 O ALA A 442 4.801 14.784 6.598 1.00 0.49 O ATOM 1247 CB ALA A 442 6.287 12.016 6.010 1.00 0.47 C ATOM 0 H ALA A 442 6.045 11.954 3.558 1.00 0.38 H new ATOM 0 HA ALA A 442 4.245 12.486 5.617 1.00 0.41 H new ATOM 0 HB1 ALA A 442 6.205 12.193 7.082 1.00 0.47 H new ATOM 0 HB2 ALA A 442 6.142 10.955 5.805 1.00 0.47 H new ATOM 0 HB3 ALA A 442 7.276 12.320 5.667 1.00 0.47 H new ATOM 1253 N LYS A 443 6.075 15.034 4.758 1.00 0.47 N ATOM 1254 CA LYS A 443 6.259 16.467 4.951 1.00 0.52 C ATOM 1255 C LYS A 443 5.091 17.247 4.349 1.00 0.51 C ATOM 1256 O LYS A 443 5.014 18.468 4.480 1.00 0.56 O ATOM 1257 CB LYS A 443 7.578 16.925 4.324 1.00 0.59 C ATOM 1258 CG LYS A 443 8.410 17.809 5.239 1.00 0.93 C ATOM 1259 CD LYS A 443 9.432 16.996 6.017 1.00 1.17 C ATOM 1260 CE LYS A 443 8.924 16.640 7.406 1.00 1.62 C ATOM 1261 NZ LYS A 443 9.658 17.376 8.472 1.00 2.23 N ATOM 0 H LYS A 443 6.539 14.655 3.932 1.00 0.47 H new ATOM 0 HA LYS A 443 6.292 16.666 6.022 1.00 0.52 H new ATOM 0 HB2 LYS A 443 8.164 16.048 4.048 1.00 0.59 H new ATOM 0 HB3 LYS A 443 7.364 17.468 3.403 1.00 0.59 H new ATOM 0 HG2 LYS A 443 8.921 18.568 4.647 1.00 0.93 H new ATOM 0 HG3 LYS A 443 7.755 18.334 5.934 1.00 0.93 H new ATOM 0 HD2 LYS A 443 9.665 16.083 5.469 1.00 1.17 H new ATOM 0 HD3 LYS A 443 10.360 17.562 6.102 1.00 1.17 H new ATOM 0 HE2 LYS A 443 7.860 16.869 7.473 1.00 1.62 H new ATOM 0 HE3 LYS A 443 9.030 15.567 7.567 1.00 1.62 H new ATOM 0 HZ1 LYS A 443 9.282 17.105 9.403 1.00 2.23 H new ATOM 0 HZ2 LYS A 443 10.669 17.138 8.425 1.00 2.23 H new ATOM 0 HZ3 LYS A 443 9.536 18.400 8.334 1.00 2.23 H new ATOM 1275 N GLN A 444 4.180 16.530 3.694 1.00 0.47 N ATOM 1276 CA GLN A 444 3.013 17.144 3.082 1.00 0.49 C ATOM 1277 C GLN A 444 1.746 16.705 3.803 1.00 0.47 C ATOM 1278 O GLN A 444 0.901 17.527 4.154 1.00 0.54 O ATOM 1279 CB GLN A 444 2.930 16.777 1.599 1.00 0.52 C ATOM 1280 CG GLN A 444 4.233 16.988 0.846 1.00 0.90 C ATOM 1281 CD GLN A 444 4.224 18.251 0.007 1.00 1.38 C ATOM 1282 OE1 GLN A 444 4.685 18.256 -1.134 1.00 1.86 O ATOM 1283 NE2 GLN A 444 3.695 19.332 0.570 1.00 2.12 N ATOM 0 H GLN A 444 4.232 15.518 3.576 1.00 0.47 H new ATOM 0 HA GLN A 444 3.108 18.226 3.167 1.00 0.49 H new ATOM 0 HB2 GLN A 444 2.633 15.732 1.508 1.00 0.52 H new ATOM 0 HB3 GLN A 444 2.148 17.373 1.129 1.00 0.52 H new ATOM 0 HG2 GLN A 444 5.056 17.036 1.559 1.00 0.90 H new ATOM 0 HG3 GLN A 444 4.419 16.129 0.201 1.00 0.90 H new ATOM 0 HE21 GLN A 444 3.324 19.283 1.519 1.00 2.12 H new ATOM 0 HE22 GLN A 444 3.660 20.211 0.053 1.00 2.12 H new ATOM 1292 N ARG A 445 1.625 15.402 4.029 1.00 0.42 N ATOM 1293 CA ARG A 445 0.465 14.855 4.722 1.00 0.44 C ATOM 1294 C ARG A 445 0.451 15.303 6.178 1.00 0.49 C ATOM 1295 O ARG A 445 -0.576 15.742 6.696 1.00 0.55 O ATOM 1296 CB ARG A 445 0.467 13.325 4.647 1.00 0.45 C ATOM 1297 CG ARG A 445 -0.920 12.711 4.748 1.00 1.28 C ATOM 1298 CD ARG A 445 -0.983 11.641 5.827 1.00 1.66 C ATOM 1299 NE ARG A 445 -0.941 12.214 7.170 1.00 2.16 N ATOM 1300 CZ ARG A 445 -1.992 12.759 7.777 1.00 2.71 C ATOM 1301 NH1 ARG A 445 -3.168 12.810 7.164 1.00 3.07 N ATOM 1302 NH2 ARG A 445 -1.868 13.256 9.000 1.00 3.43 N ATOM 0 H ARG A 445 2.314 14.706 3.743 1.00 0.42 H new ATOM 0 HA ARG A 445 -0.433 15.230 4.231 1.00 0.44 H new ATOM 0 HB2 ARG A 445 0.925 13.016 3.707 1.00 0.45 H new ATOM 0 HB3 ARG A 445 1.090 12.931 5.450 1.00 0.45 H new ATOM 0 HG2 ARG A 445 -1.649 13.492 4.966 1.00 1.28 H new ATOM 0 HG3 ARG A 445 -1.197 12.276 3.787 1.00 1.28 H new ATOM 0 HD2 ARG A 445 -1.898 11.061 5.709 1.00 1.66 H new ATOM 0 HD3 ARG A 445 -0.149 10.950 5.701 1.00 1.66 H new ATOM 0 HE ARG A 445 -0.053 12.195 7.672 1.00 2.16 H new ATOM 0 HH11 ARG A 445 -3.269 12.430 6.223 1.00 3.07 H new ATOM 0 HH12 ARG A 445 -3.970 13.229 7.634 1.00 3.07 H new ATOM 0 HH21 ARG A 445 -0.967 13.221 9.476 1.00 3.43 H new ATOM 0 HH22 ARG A 445 -2.674 13.674 9.465 1.00 3.43 H new ATOM 1314 N ALA A 446 1.603 15.195 6.826 1.00 0.53 N ATOM 1315 CA ALA A 446 1.738 15.594 8.222 1.00 0.62 C ATOM 1316 C ALA A 446 1.784 17.112 8.350 1.00 0.65 C ATOM 1317 O ALA A 446 1.410 17.670 9.382 1.00 0.75 O ATOM 1318 CB ALA A 446 2.989 14.973 8.828 1.00 0.65 C ATOM 0 H ALA A 446 2.460 14.834 6.407 1.00 0.53 H new ATOM 0 HA ALA A 446 0.866 15.233 8.768 1.00 0.62 H new ATOM 0 HB1 ALA A 446 3.078 15.279 9.870 1.00 0.65 H new ATOM 0 HB2 ALA A 446 2.919 13.887 8.773 1.00 0.65 H new ATOM 0 HB3 ALA A 446 3.866 15.309 8.275 1.00 0.65 H new